3ZLN
Crystal structure of BCL-XL in complex with inhibitor (Compound 3)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-10-25 |
Detector | RIGAKU RAXIS-IV |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 65.911, 65.911, 115.072 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.682 - 2.288 |
R-factor | 0.1864 |
Rwork | 0.183 |
R-free | 0.24650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ZK6 CHAIN A |
RMSD bond length | 0.007 |
RMSD bond angle | 1.140 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE: 1.8.1_1168)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.370 |
High resolution limit [Å] | 2.290 | 2.290 |
Rmerge | 0.130 | 0.500 |
Number of reflections | 11658 | |
<I/σ(I)> | 8.95 | 2.75 |
Completeness [%] | 96.8 | 93.2 |
Redundancy | 3.3 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 1.8 M (NH4)2 SO4, 40 MM MG2 SO4, 10 MM TRIS PH 8.0 |