4GD4

Crystal Structure of JMJD2A Complexed with Inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-07-11
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.91730
Spacegroup name	P 21 21 2
Unit cell lengths	100.750, 150.030, 57.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.640 - 2.330
R-factor	0.182
Rwork	0.180
R-free	0.21820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.030
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.11.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.640	2.390
High resolution limit [Å]	2.330	2.330
Rmerge	0.080	0.628
Number of reflections	37798
<I/σ(I)>	12.8	2.7
Completeness [%]	99.6	99.9
Redundancy	5.4	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	277	0.2 M NaF, 20% w/v PEG 3350, 0.1 M Bis Tris Propane, pH 7.5, VAPOR DIFFUSION, temperature 277K