6O0K
crystal structure of BCL-2 with venetoclax
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-11-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 33.725, 48.506, 87.316 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.658 - 1.620 |
R-factor | 0.1632 |
Rwork | 0.161 |
R-free | 0.20240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lvt |
RMSD bond length | 0.020 |
RMSD bond angle | 1.512 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.658 | 1.680 |
High resolution limit [Å] | 1.620 | 1.620 |
Rmeas | 0.105 | |
Number of reflections | 18474 | 1508 |
<I/σ(I)> | 12.57 | 2.16 |
Completeness [%] | 97.8 | 80.73 |
Redundancy | 7 | 5.5 |
CC(1/2) | 0.998 | 0.604 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 291 | 5% PEG4K, 40%PEG400, 0.1M MES pH 6.0 |