5A7N

Crystal structure of human JMJD2A in complex with compound 43

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	2013-08-07
Detector	DECTRIS PILATUS 2M
Spacegroup name	P 21 21 2
Unit cell lengths	101.120, 149.760, 57.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.996 - 2.390
R-factor	0.1855
Rwork	0.183
R-free	0.24450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oq7
RMSD bond length	0.008
RMSD bond angle	1.084
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.000	2.450
High resolution limit [Å]	2.390	2.390
Rmerge	0.110	0.830
Number of reflections	35446
<I/σ(I)>	12.3	2.4
Completeness [%]	99.5	99.9
Redundancy	6.6	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		22% PEG3350 -- 0.1M BIS-TRIS PH 7.5 -- 0.25M AMMONIUM SULFATE