2YM3

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	2006-09-29
Detector	RIGAKU CCD
Spacegroup name	P 1 21 1
Unit cell lengths	45.050, 65.790, 58.140
Unit cell angles	90.00, 94.25, 90.00

Refinement procedure

Resolution	24.543 - 2.007
R-factor	0.1788
Rwork	0.177
R-free	0.20280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wmw
RMSD bond length	0.003
RMSD bond angle	0.697
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	2.120
High resolution limit [Å]	2.010	2.010
Rmerge	0.070	0.480
Number of reflections	21735
<I/σ(I)>	8.7	1.6
Completeness [%]	95.7	97.5
Redundancy	2.4	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				DL-MALIC ACID/PEG3350