3ZLR
Crystal structure of BCL-XL in complex with inhibitor (WEHI-539)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-10-25 |
Detector | RIGAKU RAXIS-IV |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 56.241, 56.241, 211.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.001 - 2.026 |
R-factor | 0.1606 |
Rwork | 0.158 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ZK6 CHAIN A |
RMSD bond length | 0.007 |
RMSD bond angle | 1.196 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE: 1.8.1_1168)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.680 | 2.100 |
High resolution limit [Å] | 2.030 | 2.030 |
Rmerge | 0.120 | 0.500 |
Number of reflections | 22506 | |
<I/σ(I)> | 21.98 | 4.28 |
Completeness [%] | 97.2 | 86.6 |
Redundancy | 86.57 | 10.78 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 1.6 M (NH4)2 SO4, 100 MM MES PH 5.5 |