3QL9

Monoclinic complex structure of ATRX ADD bound to histone 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	C 1 2 1
Unit cell lengths	83.719, 39.452, 41.057
Unit cell angles	90.00, 111.24, 90.00

Refinement procedure

Resolution	21.950 - 0.930
R-factor	0.1227
Rwork	0.122
R-free	0.13110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qln
RMSD bond length	0.020
RMSD bond angle	1.414
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	0.950
High resolution limit [Å]	0.930	2.520	0.930
Rmerge	0.067	0.037	0.570
Number of reflections	77964
<I/σ(I)>	8
Completeness [%]	93.1	98.8	88.1
Redundancy	8.5	8.4	8.2

Crystallization Conditions

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