5A7Q

Crystal structure of human JMJD2A in complex with compound 30

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	2015-03-06
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 2
Unit cell lengths	101.194, 149.080, 57.627
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.727 - 2.000
Rwork	0.194
R-free	0.23140
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]	149.080	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.050	0.610
Number of reflections	59779
<I/σ(I)>	19.2	2.3
Completeness [%]	99.9	99.8
Redundancy	5.4	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		28% PEG3350 -- 0.1M BIS-TRIS PH 6.5 -- 0.15M AMMONIUM SULFATE