6ETG

Crystal structure of KDM4D with tetrazolhydrazide compound 6

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	2016-05-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 43 21 2
Unit cell lengths	71.854, 71.854, 151.531
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.927 - 1.279
R-factor	0.1243
Rwork	0.124
R-free	0.15750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.029
RMSD bond angle	2.456
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]	48.173	48.173	1.360
High resolution limit [Å]	1.280	3.830	1.280
Rmerge	0.049	0.019	0.752
Rmeas	0.055	0.021	0.853
Total number of observations	890260
Number of reflections	195540	7271	31559
<I/σ(I)>	16.91	64.51	1.94
Completeness [%]	99.8	99.2	99.3
Redundancy	4.553	4.585	4.538
CC(1/2)	0.999	0.999	0.636

Crystallization Conditions

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