6G5W

Crystal Structure of KDM4A with compound YP-03-038

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	99.362, 148.574, 56.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.571 - 1.830
R-factor	0.1775
Rwork	0.176
R-free	0.21770
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]	46.571	46.571	1.940
High resolution limit [Å]	1.830	5.450	1.830
Rmerge	0.061	0.031	0.910
Rmeas	0.068	0.035	1.002
Total number of observations	432868
Number of reflections	74525	3029	11712
<I/σ(I)>	15.78	45.08	1.89
Completeness [%]	99.5	98.6	98
Redundancy	5.808	5.425	5.64
CC(1/2)	0.999	0.999	0.711

Crystallization Conditions

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