5A7W

Crystal structure of human JMJD2A in complex with compound 35

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-19
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 2
Unit cell lengths	101.240, 149.750, 57.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.893 - 2.270
R-factor	0.227
Rwork	0.225
R-free	0.27280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ura
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]	49.920	2.330
High resolution limit [Å]	2.270	2.270
Rmerge	0.100	0.890
Number of reflections	40875
<I/σ(I)>	9.5	1.9
Completeness [%]	99.4	99.6
Redundancy	4.7	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		30% PEG3350 -- 0.1M BIS-TRIS PH 6.0 -- 0.25M AMMONIUM SULFATE