6ETE

Crystal structure of KDM4D with tetrazolhydrazide compound 5

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	2016-05-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918
Spacegroup name	P 43 21 2
Unit cell lengths	71.464, 71.464, 151.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.732 - 1.468
R-factor	0.128
Rwork	0.128
R-free	0.15340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.031
RMSD bond angle	2.362
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]	47.923	47.923	1.560
High resolution limit [Å]	1.470	4.390	1.470
Rmerge	0.044	0.021	0.694
Rmeas	0.049	0.023	0.787
Total number of observations	587371
Number of reflections	127491	4768	20523
<I/σ(I)>	18.16	62.27	2.02
Completeness [%]	99.8	99.4	99.3
Redundancy	4.607	4.644	4.539
CC(1/2)	0.999	0.999	0.685

Crystallization Conditions

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