6F5T

Crystal Structure of KDM4D with tetrazole ligand GF057

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	2017-11-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 43 21 2
Unit cell lengths	72.213, 72.213, 152.078
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.407 - 1.580
R-factor	0.1788
Rwork	0.178
R-free	0.19820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ets
RMSD bond length	0.015
RMSD bond angle	1.339
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]	48.407	48.407	1.670
High resolution limit [Å]	1.580	4.710	1.580
Rmerge	0.080	0.022	2.730
Rmeas	0.093	0.025	3.159
Number of reflections	104082	3824	16734
<I/σ(I)>	10.31	47.44	0.51
Completeness [%]	98.5	96.4	97.8
Redundancy	3.822	3.96	3.837
CC(1/2)	0.999	0.999	0.246

Crystallization Conditions

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