4C52
Crystal structure of Bcl-xL in complex with benzoylurea compound (39b)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 100 |
Collection date | 2008-01-11 |
Detector | RIGAKU |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 63.814, 63.814, 132.830 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.481 - 2.049 |
R-factor | 0.1618 |
Rwork | 0.159 |
R-free | 0.21570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1maz |
RMSD bond length | 0.008 |
RMSD bond angle | 1.117 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.090 | 0.500 |
Number of reflections | 20396 | |
<I/σ(I)> | 25 | 3.4 |
Completeness [%] | 99.6 | 98.5 |
Redundancy | 6.6 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 1.4 M (NH4)2SO4, 0.1 M MES PH 6.5, 25% (V/V) ETHYLENE GLYCOL |