6H0W

Crystal Structure of KDM4D with tetrazolylhydrazide ligand NS035

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	2016-10-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 43 21 2
Unit cell lengths	71.482, 71.482, 150.707
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.741 - 1.230
R-factor	0.1203
Rwork	0.120
R-free	0.13550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ets
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]	47.922	47.922	1.300
High resolution limit [Å]	1.230	3.680	1.230
Rmerge	0.061	0.020	0.973
Rmeas	0.066	0.021	1.053
Total number of observations	1484777
Number of reflections	216345	8092	34865
<I/σ(I)>	18.69	83.77	1.95
Completeness [%]	99.9	99.9	99.5
Redundancy	6.863	7.2	6.816
CC(1/2)	1.000	1.000	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	100mM HEPES, 180mM ammonium sulphate, 24% PEG 3350