4URA

Crystal structure of human JMJD2A in complex with compound 14a

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	2014-08-07
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 2
Unit cell lengths	101.040, 149.660, 57.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.134 - 2.230
R-factor	0.209
Rwork	0.207
R-free	0.25900
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.008
RMSD bond angle	1.132
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.130	2.290
High resolution limit [Å]	2.230	2.230
Rmerge	0.090	0.830
Number of reflections	43239
<I/σ(I)>	15.9	2.3
Completeness [%]	99.2	97.6
Redundancy	6.7	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.9		0.1M BIS-TRIS PH 5.9, 0.15M AMMONIUM SULFATE, 11% PEG3350