4V2W

JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H3K27me3 PEPTIDE (16-35)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-13
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 2
Unit cell lengths	100.711, 149.740, 57.508
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.072 - 1.810
R-factor	0.1742
Rwork	0.172
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENRTY 2OX0
RMSD bond length	0.010
RMSD bond angle	1.321
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.070	1.910
High resolution limit [Å]	1.810	1.810
Rmerge	0.100	0.890
Number of reflections	79999
<I/σ(I)>	9.9	2
Completeness [%]	99.9	99.3
Redundancy	6.9	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	VAPOUR DIFFUSION, SITTING DROP (PROTEIN:WELL, 1:2), 277 K, PACT PREMIER/G10: 0.02 M SODIUM/POTASSIUM PHOSPHATE, 0.1 M BIS TRIS PROPANE 7.5, 20 % W/V PEG 3350