4D6Q

crystal structure of human JMJD2D in complex with 2,4-PDCA

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	2012-05-10
Detector	DECTRIS PIXEL
Spacegroup name	P 43 21 2
Unit cell lengths	71.910, 71.910, 151.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.435 - 1.292
R-factor	0.1361
Rwork	0.135
R-free	0.16130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NONE
RMSD bond length	0.007
RMSD bond angle	1.079
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.430	1.330
High resolution limit [Å]	1.290	1.290
Rmerge	0.070	0.680
Number of reflections	99689
<I/σ(I)>	15.9	2.8
Completeness [%]	100.0	100
Redundancy	7.2	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		27% PEG3350 -- 0.1M HEPES PH 7.0 -- 0.25M AMMONIUM SULFATE