6CG2

Crystal Structure of KDM4A with Compound 8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-D
Synchrotron site	APS
Beamline	14-BM-D
Temperature [K]	80
Detector technology	CCD
Collection date	2012-03-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.95
Spacegroup name	P 1 21 1
Unit cell lengths	57.457, 101.739, 142.287
Unit cell angles	90.00, 99.51, 90.00

Refinement procedure

Resolution	140.300 - 2.340
R-factor	0.1771
Rwork	0.174
R-free	0.23350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vgi
RMSD bond length	0.015
RMSD bond angle	1.763
Data reduction software	XDS
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	140.330	2.480
High resolution limit [Å]	2.340	2.340
Number of reflections	67709
<I/σ(I)>	12.3
Completeness [%]	98.7
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% PEG4K, 150mM NaCl, 50mM HEPES pH 7.3