6H0Z

Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR067

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	2016-10-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 43 21 2
Unit cell lengths	71.900, 71.900, 151.251
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.193 - 1.340
R-factor	0.1293
Rwork	0.129
R-free	0.15120
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]	48.191	48.191	1.420
High resolution limit [Å]	1.340	4.010	1.340
Rmerge	0.067	0.019	0.904
Rmeas	0.073	0.021	0.985
Total number of observations	1148877
Number of reflections	169112	6341	26862
<I/σ(I)>	18.42	79.26	1.87
Completeness [%]	99.4	99.8	97.7
Redundancy	6.794	6.907	6.365
CC(1/2)	1.000	1.000	0.677

Crystallization Conditions

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