3SHV

Crystal structure of human MCPH1 tandem BRCT domains-gamma H2AX complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-14
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	122.772, 132.860, 31.534
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.080 - 2.100
R-factor	0.1988
Rwork	0.197
R-free	0.24180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sht
RMSD bond length	0.015
RMSD bond angle	1.458
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.064	0.032	0.350
Number of reflections	31077
<I/σ(I)>	11.1
Completeness [%]	99.5	99	97.8
Redundancy	5.2	4.8	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.2M Sodium acetate trihydrate, 100mM TRIS hydrochloride(pH 8.5), 30%(w/v) PEG4000 , VAPOR DIFFUSION, HANGING DROP, temperature 293K