1GXC

FHA domain from human Chk2 kinase in complex with a synthetic phosphopeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	79.824, 82.884, 129.857
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.700
R-factor	0.245 *
Rwork	0.231
R-free	0.29400 *
Structure solution method	MAD
RMSD bond length	0.007 *
RMSD bond angle	1.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000 *	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.039	0.380
Number of reflections	24148
<I/σ(I)>	20.1
Completeness [%]	97.3	87
Redundancy	3.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8 *	18 *	pH 6.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	0.2 (mM)
2	1	drop	Tris-HCl	20 (mM)	pH8.0
3	1	reservoir	PEG20000	12 (%)
4	1	reservoir	MES	0.1 (M)	pH6.5