5F5A

Crystal Structure of human JMJD2D complexed with KDOAM16

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	2012-12-20
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.92000
Spacegroup name	P 43 21 2
Unit cell lengths	71.280, 71.280, 150.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.400 - 1.410
R-factor	0.1328
Rwork	0.131
R-free	0.16470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4d6q
RMSD bond length	0.012
RMSD bond angle	1.532
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.400	50.400	1.450
High resolution limit [Å]	1.410	6.310	1.410
Rmerge	0.083	0.067	0.722
Rpim	0.024	0.020	0.207
Total number of observations	986424	12313	70255
Number of reflections	75484
<I/σ(I)>	18.6	40.1	3.7
Completeness [%]	100.0	99.9	99.9
Redundancy	13.1	12.2	12.8
CC(1/2)	0.998	0.999	0.901

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	30% PEG3350 , 0.1M HEPES pH 7.0 , 0.25M ammonium sulfate