4W5A

Complex structure of ATRX ADD bound to H3K9me3S10ph peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	110
Detector technology	CCD
Collection date	2012-04-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97892
Spacegroup name	P 32 2 1
Unit cell lengths	75.522, 75.522, 137.599
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.500 - 2.600
R-factor	0.224
Rwork	0.221
R-free	0.25970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ql9
RMSD bond length	0.003
RMSD bond angle	0.800
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.096	0.756
Number of reflections	14504
<I/σ(I)>	26.1	3.5
Completeness [%]	99.6	100
Redundancy	8.3	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	13-20% PEG 4000, 0.1 M MES, 3 mM MgCl2