6ETS

Crystal structure of KDM4D with tetrazolhydrazide compound 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.3
Synchrotron site	BESSY
Beamline	14.3
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-22
Detector	RAYONIX MX-225
Wavelength(s)	0.894
Spacegroup name	P 43 21 2
Unit cell lengths	71.631, 71.631, 150.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.034 - 1.333
R-factor	0.1291
Rwork	0.129
R-free	0.15590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hoo
RMSD bond length	0.035
RMSD bond angle	2.617
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.014	48.014	1.410
High resolution limit [Å]	1.330	3.990	1.330
Rmerge	0.059	0.019	0.759
Rmeas	0.067	0.021	0.869
Total number of observations	687453
Number of reflections	168562	6031	27266
<I/σ(I)>	16.18	63.21	1.92
Completeness [%]	98.5	94.2	98.6
Redundancy	4.078	4.384	3.982
CC(1/2)	0.999	0.999	0.613

Crystallization Conditions

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