2WMR

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
Detector	RIGAKU CCD
Spacegroup name	P 1 21 1
Unit cell lengths	44.780, 65.250, 54.240
Unit cell angles	90.00, 101.89, 90.00

Refinement procedure

Resolution	41.175 - 2.430
R-factor	0.2109
Rwork	0.208
R-free	0.26010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hy0
RMSD bond length	0.007
RMSD bond angle	1.157
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]	41.200	2.560
High resolution limit [Å]	2.430	2.430
Rmerge	0.100	0.460
Number of reflections	11626
<I/σ(I)>	11.1	2.5
Completeness [%]	99.8	99.5
Redundancy	3.5	3.5

Crystallization Conditions

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