5F5I

Crystal Structure of human JMJD2A complexed with KDOOA011340

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	2013-08-07
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.92000
Spacegroup name	P 21 21 2
Unit cell lengths	101.030, 149.580, 57.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.010 - 2.630
R-factor	0.2124
Rwork	0.211
R-free	0.24330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oq7
RMSD bond length	0.008
RMSD bond angle	1.212
Data reduction software	XDS
Data scaling software	Aimless (0.1.29)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	54.010	54.010	2.700
High resolution limit [Å]	2.630	11.760	2.630
Rmerge	0.105	0.028	0.907
Rpim	0.043	0.013	0.368
Total number of observations	176830	2108	13209
Number of reflections	26629
<I/σ(I)>	15.5	52.6	2.3
Completeness [%]	99.2	98.4	99.8
Redundancy	6.6	5.9	6.9
CC(1/2)	0.998	1.000	0.728

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.9	277	0.1M bis-tris pH 5.9 , 0.15M ammonium sulfate , 13% PEG3350