5A7S

Crystal structure of human JMJD2A in complex with compound 44

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-03-07
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 2 21 21
Unit cell lengths	57.070, 100.760, 149.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.194 - 2.200
Rwork	0.171
R-free	0.22750
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]	32.760	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.070	0.560
Number of reflections	43913
<I/σ(I)>	12.3	2.8
Completeness [%]	98.8	97.8
Redundancy	5.6	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		30% PEG3350 -- 0.1M TRIS PH 8.5 -- 0.25M AMMONIUM SULFATE