2XUE

CRYSTAL STRUCTURE OF JMJD3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-28
Detector	ADSC CCD
Spacegroup name	P 1
Unit cell lengths	61.215, 65.154, 77.462
Unit cell angles	86.09, 67.19, 68.26

Refinement procedure

Resolution	71.130 - 2.000
R-factor	0.18081
Rwork	0.179
R-free	0.21574
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.010
RMSD bond angle	1.089
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	autoSHARP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.060	0.510
Number of reflections	61840
<I/σ(I)>	12.3	1.5
Completeness [%]	89.9	56.1
Redundancy	2.3	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		MORPHEUS SCREEN (MOLECULAR DIMENSIONS) CONDITION A12 (0.03M MGCL2, 0.03M CACL2, 0.1M TRIS HCL/BICINE PH 8.5, 12.5%V/V MPD, 12.5%W/V PEG1000, 12.5%W/V PEG3350)
1		8.5		MORPHEUS SCREEN (MOLECULAR DIMENSIONS) CONDITION A12 (0.03M MGCL2, 0.03M CACL2, 0.1M TRIS HCL/BICINE PH 8.5, 12.5%V/V MPD, 12.5%W/V PEG1000, 12.5%W/V PEG3350)