2WMT
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 | 44.830, 65.150, 53.990 |
Unit cell angles | 90.00, 102.18, 90.00 |
Refinement procedure
Resolution | 32.575 - 2.550 |
R-factor | 0.2162 |
Rwork | 0.214 |
R-free | 0.25660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hy0 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.201 |
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] | 32.600 | 2.690 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.080 | 0.440 |
Number of reflections | 9862 | |
<I/σ(I)> | 8.8 | 2.5 |
Completeness [%] | 98.3 | 99.7 |
Redundancy | 2.5 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | DL-MALIC ACID/PEG3350 |