8KFO
Crystal structure of BSA in complex with B3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-08-19 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.97918 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 146.821, 45.714, 209.668 |
Unit cell angles | 90.00, 104.02, 90.00 |
Refinement procedure
Resolution | 56.169 - 3.600 |
R-factor | 0.2783 |
Rwork | 0.276 |
R-free | 0.31580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.575 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.16_3549: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 132.770 | 3.940 |
High resolution limit [Å] | 3.600 | 3.600 |
Rmerge | 0.107 | 1.037 |
Rmeas | 0.117 | 1.120 |
Rpim | 0.045 | 0.588 |
Number of reflections | 16194 | 3830 |
<I/σ(I)> | 9.4 | |
Completeness [%] | 98.7 | |
Redundancy | 6.6 | |
CC(1/2) | 0.998 | 0.722 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 291.15 | 0.2M CaAC2, 22% PEG3350, 0.1M Tris pH 6.0 |