A multi-dataset data-collection strategy produces better diffraction data.
A multi-dataset (MDS) data-collection strategy is proposed and analyzed for macromolecular crystal diffraction data acquisition. 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 anomalous signals of sulfur atoms in zinc-free insulin crystals were used as the probe to differentiate the quality of data collected using different data-collection strategies. 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. In addition, the MDS strategy offered more advantages with respect to radiation-damage-sensitive crystals and better usage of rotating-anode as well as synchrotron X-rays.
National Laboratory of Biomacromolecules, Institute of Biophysics, Chinese Academy of Sciences, Beijing 100101, People's Republic of China. zjliu@ibp.ac.cn
Zhi Jie
ZJ
Liu
Lirong
L
Chen
Dong
D
Wu
Wei
W
Ding
Hua
H
Zhang
Weihong
W
Zhou
Zheng Qing
ZQ
Fu
Bi Cheng
BC
Wang
D000818:Animals; D002417:Cattle; D018360:Crystallography, X-Ray / Q000379:methods*; D007328:Insulin / Q000737:chemistry*; D008958:Models, Molecular; D013455:Sulfur / Q000737:chemistry; D017356:Synchrotrons; D014965:X-Rays
D007328:Insulin; D013455:Sulfur