2YM5
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 | 2006-06-07 |
Detector | RIGAKU CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.910, 65.750, 58.080 |
Unit cell angles | 90.00, 93.89, 90.00 |
Refinement procedure
Resolution | 36.670 - 2.030 |
R-factor | 0.1869 |
Rwork | 0.185 |
R-free | 0.21650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wmw |
RMSD bond length | 0.006 |
RMSD bond angle | 0.912 |
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] | 43.500 | 2.140 |
High resolution limit [Å] | 2.030 | 2.030 |
Rmerge | 0.100 | 0.460 |
Number of reflections | 19321 | |
<I/σ(I)> | 5.3 | 1.3 |
Completeness [%] | 88.3 | 93.6 |
Redundancy | 2.6 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | DL-MALIC ACID, PEG 3350. |