2XF0
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 |
Collection date | 2005-11-17 |
Detector | RIGAKU CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.759, 65.042, 53.039 |
Unit cell angles | 90.00, 101.40, 90.00 |
Refinement procedure
Resolution | 27.746 - 2.400 |
R-factor | 0.2045 |
Rwork | 0.203 |
R-free | 0.24440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wmw |
RMSD bond length | 0.007 |
RMSD bond angle | 1.002 |
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] | 30.700 | 2.530 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.100 | 0.530 |
Number of reflections | 10918 | |
<I/σ(I)> | 5.8 | 1.5 |
Completeness [%] | 93.0 | 96.3 |
Redundancy | 2.5 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | DL-MALIC ACID/PEG3350 |