Scaling of one-shot oscillation images with a reference data set.
By combining a least-squares procedure with the program MOSFLM, a program SCLONE has been developed which processes diffraction images that do not contain serial oscillation images and may have a few or no full reflections. After each image was processed by MOSFLM, the partialities and structure amplitudes of the reflections were estimated using a least-squares method to refine the scaling factor, the relative temperature factor, the mosaic spread, cell constants, and missetting angles for each independent image. The SCLONE calculation significantly improved the quality of the intensities from the reflections obtained by the initial MOSFLM calculation and crystal structural refinement confirmed the improvement. The SCLONE calculation indicated that the reflection of the present crystal had a rocking curve that was steeper at the middle of the profile and more gradual at both ends of the profile than that assumed in the program MOSFLM.
Hirata
Kunio
K
Institute for Protein Research, Osaka University, Yamada-oka Suita, 565-0871, Japan.
Yamashita
Eiki
E
Aoyama
Hiroshi
H
Muramoto
Kazumasa
K
Yoshikawa
Shinya
S
Tsukihara
Tomitake
T
D000465:Algorithms; D003198:Computer Simulation; D003461:Crystallography / Q000379:methods; D018360:Crystallography, X-Ray / Q000379:methods*; D003576:Electron Transport Complex IV / Q000737:chemistry*; D008958:Models, Molecular; D015233:Models, Statistical; D009991:Oscillometry / Q000379:methods; D012016:Reference Values; D015203:Reproducibility of Results; D012680:Sensitivity and Specificity; D012984:Software
D003576:Electron Transport Complex IV