2YM4
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 | 2006-12-11 |
Detector | RIGAKU CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.810, 65.900, 57.920 |
Unit cell angles | 90.00, 94.18, 90.00 |
Refinement procedure
Resolution | 36.988 - 2.350 |
R-factor | 0.2064 |
Rwork | 0.204 |
R-free | 0.24670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wmw |
RMSD bond length | 0.003 |
RMSD bond angle | 0.773 |
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] | 44.690 | 2.480 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.110 | 0.520 |
Number of reflections | 12868 | |
<I/σ(I)> | 6.1 | 1.5 |
Completeness [%] | 91.3 | 95.3 |
Redundancy | 2.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | DL-MALIC ACID, PEG 3350. |