2WMS
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 | 44.730, 65.270, 54.170 |
Unit cell angles | 90.00, 101.68, 90.00 |
Refinement procedure
Resolution | 37.735 - 2.700 |
R-factor | 0.2247 |
Rwork | 0.223 |
R-free | 0.25880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hy0 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.103 |
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] | 37.700 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.120 | 0.470 |
Number of reflections | 7909 | |
<I/σ(I)> | 8.9 | 3.5 |
Completeness [%] | 93.4 | 95.2 |
Redundancy | 2.7 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | DL-MALIC ACID/PEG3350 |