2WMX
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | RIGAKU CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.870, 65.570, 57.850 |
Unit cell angles | 90.00, 93.77, 90.00 |
Refinement procedure
Resolution | 28.862 - 2.450 |
R-factor | 0.22 |
Rwork | 0.219 |
R-free | 0.24430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hy0 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.093 |
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] | 28.900 | 2.580 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.080 | 0.400 |
Number of reflections | 12030 | |
<I/σ(I)> | 9.4 | 2.8 |
Completeness [%] | 97.3 | 99.1 |
Redundancy | 2.7 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | DL-MALIC ACID/PEG3350 |