5K4L

Crystal structure of KDM5A in complex with a naphthyridone inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	93
Detector technology	PIXEL
Collection date	2014-06-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97950
Spacegroup name	P 31
Unit cell lengths	159.141, 159.141, 92.109
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.503 - 3.179
R-factor	0.2237
Rwork	0.222
R-free	0.25700
RMSD bond length	0.011
RMSD bond angle	0.965
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	3.260
High resolution limit [Å]	3.179	3.179
Rmerge	0.099	0.502
Number of reflections	40754
<I/σ(I)>	7.8	1.1
Completeness [%]	93.3	90.1
Redundancy	2.8	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.3	292	20% PEG3350, 0.1 M HEPES, pH 7.3, and 12% glycerol