3QLA

Hexagonal complex structure of ATRX ADD bound to H3K9me3 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 3W1A
Synchrotron site	BSRF
Beamline	3W1A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-02
Detector	MAR CCD 165 mm
Wavelength(s)	0.97924
Spacegroup name	P 65
Unit cell lengths	66.709, 66.709, 131.641
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.596 - 1.600
R-factor	0.1583
Rwork	0.157
R-free	0.17860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qln
RMSD bond length	0.015
RMSD bond angle	1.365
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.083	0.042	0.566
Number of reflections	43055
<I/σ(I)>	5.9
Completeness [%]	98.5	98.7	97.3
Redundancy	9.7	9.6	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.1	277	14% PEG 4000, 0.1M MES, 0.2M KCL, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K