2WMV

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	44.630, 64.910, 53.350
Unit cell angles	90.00, 100.76, 90.00

Refinement procedure

Resolution	36.333 - 2.009
R-factor	0.215
Rwork	0.214
R-free	0.24090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hy0
RMSD bond length	0.006
RMSD bond angle	0.973
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]	36.330	2.120
High resolution limit [Å]	2.010	2.010
Rmerge	0.060	0.240
Number of reflections	19031
<I/σ(I)>	8.5	2.8
Completeness [%]	95.1	97.4
Redundancy	2.4	2.2

Crystallization Conditions

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