2XEZ
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 | 2006-05-11 |
Detector | RIGAKU CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.840, 65.600, 57.450 |
Unit cell angles | 90.00, 95.11, 90.00 |
Refinement procedure
Resolution | 36.918 - 2.250 |
R-factor | 0.2114 |
Rwork | 0.210 |
R-free | 0.23750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wmw |
RMSD bond length | 0.010 |
RMSD bond angle | 1.081 |
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] | 44.700 | 2.370 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.080 | 0.480 |
Number of reflections | 15276 | |
<I/σ(I)> | 8.6 | 1.6 |
Completeness [%] | 96.4 | 98.6 |
Redundancy | 2.6 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | DL-MALIC ACID/PEG3350 |