3SQD

Crystal structure of human PTIP BRCT5/6-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	2010-12-02
Detector	RAYONIX MX-225
Wavelength(s)	0.9792
Spacegroup name	P 21 21 2
Unit cell lengths	84.973, 101.812, 61.815
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.994 - 2.153
R-factor	0.1997
Rwork	0.197
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l40
RMSD bond length	0.007
RMSD bond angle	1.028
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.6.1_357)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.190
High resolution limit [Å]	2.150	5.810	2.150
Rmerge	0.105	0.057	0.447
Number of reflections	29232
<I/σ(I)>	10.4
Completeness [%]	99.0	97.2	93
Redundancy	5.8	5.1	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	287	18% PEG4000, 100mM Nacacodylate, pH 6.0, vapor diffusion, hanging drop, temperature 287K