5FPV

Crystal structure of human JMJD2A in complex with compound KDOAM20A

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	2014-12-16
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 1 21 1
Unit cell lengths	111.346, 103.509, 157.103
Unit cell angles	90.00, 106.37, 90.00

Refinement procedure

Resolution	85.327 - 2.440
Rwork	0.196
R-free	0.22890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ura
RMSD bond length	0.007
RMSD bond angle	1.136
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	106.830	2.570
High resolution limit [Å]	2.440	2.440
Rmerge	0.090	0.560
Number of reflections	438854
<I/σ(I)>	11.6	2.3
Completeness [%]	98.7	99.4
Redundancy	3.6	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.9		0.1M BIS-TRIS PH 5.9, 0.15M AMMONIUM SULFATE, 11% PEG3350