6CG1

Crystal Structure of KDM4A with Compound 14

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]	77
Detector technology	CCD
Collection date	2012-03-01
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	57.582, 101.651, 142.430
Unit cell angles	90.00, 99.73, 90.00

Refinement procedure

Resolution	140.380 - 2.160
R-factor	0.1782
Rwork	0.175
R-free	0.24030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vgi
RMSD bond length	0.016
RMSD bond angle	1.781
Data reduction software	XDS
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	140.380	2.290
High resolution limit [Å]	2.160	2.160
Number of reflections	86464
<I/σ(I)>	11.52
Completeness [%]	98.6	93.3
Redundancy	3.6

Crystallization Conditions

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