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A multi-dataset data-collection strategy produces better diffraction data.

Liu ZJ, Chen L, Wu D, Ding W, Zhang H, Zhou W, Fu ZQ, Wang BC - Acta Crystallogr., A, Found. Crystallogr. (2011)

Bottom Line: The theoretical analysis indicated that the MDS strategy can reduce the standard deviation (background noise) of diffraction data compared with the commonly used single-dataset strategy for a fixed X-ray dose.In order to validate the hypothesis experimentally, a data-quality evaluation process, termed a readiness test of the X-ray data-collection system, was developed.The data-collection results using home-laboratory-based rotating-anode X-ray and synchrotron X-ray systems indicate that the diffraction data collected with the MDS strategy contain more accurate anomalous signals from sulfur atoms than the data collected with a regular data-collection strategy.

View Article: PubMed Central - HTML - PubMed

Affiliation: National Laboratory of Biomacromolecules, Institute of Biophysics, Chinese Academy of Sciences, Beijing 100101, People's Republic of China. zjliu@ibp.ac.cn

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The superposition of the rigid-body-refined insulin molecule model and the S-SAD-phased experimental 2f                  o − f                  c electron-density map at 50.0–2.5 Å resolution contoured at 1.0σ. (a) The map was calculated using the regular-exposed data of crystal 1. The arrow signs in the figure indicate the missing density at the main-chain area. (b) The map was calculated using the MDS-exposed data of crystal 1.
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fig1: The superposition of the rigid-body-refined insulin molecule model and the S-SAD-phased experimental 2f o − f c electron-density map at 50.0–2.5 Å resolution contoured at 1.0σ. (a) The map was calculated using the regular-exposed data of crystal 1. The arrow signs in the figure indicate the missing density at the main-chain area. (b) The map was calculated using the MDS-exposed data of crystal 1.

Mentions: The regular and MDS diffraction data from crystal 1 were selected to calculate the S-SAD-phased 2f o − f c electron-density map at 50.0–2.5 Å resolution as shown in Fig. 1 ▶. The map quality of the MDS data is clearly better than that of the regular-exposed data, which agrees with the Map cc values.


A multi-dataset data-collection strategy produces better diffraction data.

Liu ZJ, Chen L, Wu D, Ding W, Zhang H, Zhou W, Fu ZQ, Wang BC - Acta Crystallogr., A, Found. Crystallogr. (2011)

The superposition of the rigid-body-refined insulin molecule model and the S-SAD-phased experimental 2f                  o − f                  c electron-density map at 50.0–2.5 Å resolution contoured at 1.0σ. (a) The map was calculated using the regular-exposed data of crystal 1. The arrow signs in the figure indicate the missing density at the main-chain area. (b) The map was calculated using the MDS-exposed data of crystal 1.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3211246&req=5

fig1: The superposition of the rigid-body-refined insulin molecule model and the S-SAD-phased experimental 2f o − f c electron-density map at 50.0–2.5 Å resolution contoured at 1.0σ. (a) The map was calculated using the regular-exposed data of crystal 1. The arrow signs in the figure indicate the missing density at the main-chain area. (b) The map was calculated using the MDS-exposed data of crystal 1.
Mentions: The regular and MDS diffraction data from crystal 1 were selected to calculate the S-SAD-phased 2f o − f c electron-density map at 50.0–2.5 Å resolution as shown in Fig. 1 ▶. The map quality of the MDS data is clearly better than that of the regular-exposed data, which agrees with the Map cc values.

Bottom Line: The theoretical analysis indicated that the MDS strategy can reduce the standard deviation (background noise) of diffraction data compared with the commonly used single-dataset strategy for a fixed X-ray dose.In order to validate the hypothesis experimentally, a data-quality evaluation process, termed a readiness test of the X-ray data-collection system, was developed.The data-collection results using home-laboratory-based rotating-anode X-ray and synchrotron X-ray systems indicate that the diffraction data collected with the MDS strategy contain more accurate anomalous signals from sulfur atoms than the data collected with a regular data-collection strategy.

View Article: PubMed Central - HTML - PubMed

Affiliation: National Laboratory of Biomacromolecules, Institute of Biophysics, Chinese Academy of Sciences, Beijing 100101, People's Republic of China. zjliu@ibp.ac.cn

Show MeSH
Related in: MedlinePlus