6H0Y

Crystal Structure of KDM4D with tetrazolylhydrazide ligand NS022

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	71.554, 71.554, 150.737
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.966 - 1.212
R-factor	0.1245
Rwork	0.124
R-free	0.15840
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]	47.967	47.967	1.290
High resolution limit [Å]	1.210	3.630	1.210
Rmerge	0.059	0.024	0.964
Rmeas	0.064	0.026	1.044
Number of reflections	226689	8454	36392
<I/σ(I)>	17.13	69.99	1.83
Completeness [%]	99.8	99.7	99.1
Redundancy	6.795	6.93	6.722
CC(1/2)	1.000	0.999	0.667

Crystallization Conditions

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