8HTS
Crystal structure of Bcl2 in complex with S-10r
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-02 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.304, 55.151, 61.488 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.060 - 1.250 |
R-factor | 0.1685 |
Rwork | 0.167 |
R-free | 0.18950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5vau |
RMSD bond length | 0.006 |
RMSD bond angle | 0.972 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.300 | 1.270 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.056 | 0.514 |
Rmeas | 0.058 | 0.588 |
Rpim | 0.017 | 0.275 |
Total number of observations | 489989 | 5887 |
Number of reflections | 43247 | 1507 |
<I/σ(I)> | 21.8 | 2.4 |
Completeness [%] | 97.8 | |
Redundancy | 11.3 | 3.9 |
CC(1/2) | 0.999 | 0.829 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M sodium chloride, 0.1 M bis-tris pH 5.5, 25% PEG 3350 |