6ETV

Crystal structure of KDM4D with tetrazolhydrazide compound 2

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	71.490, 71.490, 150.444
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.918 - 1.180
R-factor	0.1216
Rwork	0.121
R-free	0.15000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ets
RMSD bond length	0.024
RMSD bond angle	2.216
Data reduction software	X-Area
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.918	47.918	1.250
High resolution limit [Å]	1.180	3.520	1.180
Rmerge	0.067	0.028	0.878
Rmeas	0.072	0.030	0.955
Total number of observations	1671018
Number of reflections	247119	9246	39529
<I/σ(I)>	16.04	64.4	2.01
Completeness [%]	99.8	99.9	98.7
Redundancy	6.762	6.867	6.475
CC(1/2)	0.999	0.999	0.694

Crystallization Conditions

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