6G5X

Crystal Structure of KDM4A with compound YP-02-145

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 2
Unit cell lengths	99.137, 148.615, 56.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.840 - 1.780
R-factor	0.171
Rwork	0.170
R-free	0.20330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pdq
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.840	46.840	1.890
High resolution limit [Å]	1.780	5.310	1.780
Rmerge	0.051	0.018	0.960
Rmeas	0.056	0.019	1.053
Number of reflections	81224	3301	12817
<I/σ(I)>	21.54	77.8	1.9
Completeness [%]	99.7	99.1	98.8
Redundancy	5.891	5.367	5.91
CC(1/2)	1.000	1.000	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	277	100mM Citrate, 10mM NiCl2, 20% PEG 3350