3I6U

Structure and Activation Mechanism of the CHK2 DNA-Damage Checkpoint Kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Detector technology	CCD
Collection date	2006-03-03
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	123.900, 152.200, 52.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 3.000
R-factor	0.247
Rwork	0.244
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gxc 1a06
RMSD bond length	0.010
RMSD bond angle	1.240
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	3.000
Number of reflections	20144
Completeness [%]	98.3
Redundancy	4.96

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	1:1 ratio mix of protein solution (~12 mg/ml protein in 20 mM Tris-HCl, 150 mM NaCl, 10 mM dithiothreitol (DTT), 3% (v/v) glycerol, pH 8.0and well bifffer ( 50 mM Na2SO4 Sulfate, 14% (w/v) PEG 3350). Crystals were flash frozen in crystallization buffer supplemented with 16-20 % (v/v) glycerol., VAPOR DIFFUSION, HANGING DROP, temperature 295K