8HTR
Crystal structure of Bcl2 in complex with S-9c
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 | 2018-03-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.902, 40.597, 53.808 |
| Unit cell angles | 90.00, 103.66, 90.00 |
Refinement procedure
| Resolution | 31.000 - 1.600 |
| R-factor | 0.1986 |
| Rwork | 0.195 |
| R-free | 0.23310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5vau |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.873 |
| 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] | 32.070 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.080 | 0.683 |
| Rmeas | 0.086 | 0.779 |
| Rpim | 0.033 | 0.367 |
| Total number of observations | 111450 | 3130 |
| Number of reflections | 17216 | 709 |
| <I/σ(I)> | 12.5 | 1.9 |
| Completeness [%] | 96.7 | |
| Redundancy | 6.5 | 4.4 |
| CC(1/2) | 0.997 | 0.681 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M ammonium acetate, 0.1 M bis-tris pH 5.5, 17% PEG 10000 |
