4A9U
CRYSTAL STRUCTURE OF HUMAN CHK2 IN COMPLEX WITH BENZIMIDAZOLE CARBOXAMIDE INHIBITOR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-06 |
Detector | ADSC CCD |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 91.070, 91.070, 93.410 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.931 - 2.480 |
R-factor | 0.1854 |
Rwork | 0.184 |
R-free | 0.21380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wtj |
RMSD bond length | 0.003 |
RMSD bond angle | 0.613 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.260 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.080 | 0.450 |
Number of reflections | 12692 | |
<I/σ(I)> | 13.4 | 3.7 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.5 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.1 M HEPES PH 7.5, 0.2 M MAGNESIUM NITRATE, 8-16% (W/V) PEG 3350 |