6O0M
crystal structure of BCL-2 F104L mutation 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 | 2016-11-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 33.690, 48.270, 87.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.900 - 1.750 |
R-factor | 0.1747 |
Rwork | 0.172 |
R-free | 0.21760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6o0g |
RMSD bond length | 0.004 |
RMSD bond angle | 0.714 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.900 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmeas | 0.115 | |
Number of reflections | 15022 | 1427 |
<I/σ(I)> | 10.58 | 1.58 |
Completeness [%] | 99.7 | 97.25 |
Redundancy | 5.8 | 4.4 |
CC(1/2) | 0.996 | 0.436 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 291 | 5% PEG4K, 40% PEG400, 0.1M MES pH 6.0 |