6ETU

Crystal structure of KDM4D with tetrazolhydrazide compound 7

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	71.999, 71.999, 150.872
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.239 - 1.330
R-factor	0.1235
Rwork	0.123
R-free	0.15400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ets
RMSD bond length	0.027
RMSD bond angle	2.260
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]	48.239	48.239	1.410
High resolution limit [Å]	1.330	3.970	1.330
Rmerge	0.054	0.021	0.733
Rmeas	0.059	0.022	0.799
Total number of observations	1187218
Number of reflections	174441	6545	28048
<I/σ(I)>	20.06	75.16	2.42
Completeness [%]	99.7	99.9	99.2
Redundancy	6.806	6.954	6.34
CC(1/2)	1.000	1.000	0.771

Crystallization Conditions

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