5A80

Crystal structure of human JMJD2A in complex with compound 40

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	101.810, 149.190, 57.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.440 - 2.280
R-factor	0.1927
Rwork	0.190
R-free	0.24890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oq7
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]	53.440	2.340
High resolution limit [Å]	2.280	2.280
Rmerge	0.090	0.680
Number of reflections	40478
<I/σ(I)>	10.1	2.2
Completeness [%]	99.6	100
Redundancy	5.9	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		30% PEG3350, 0.1M TRIS PH 8.5, 0.2M AMMONIUM SULFATE