6F5S

Crystal Structure of KDM4D with tetrazole ligand GF049

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	72.254, 72.254, 152.263
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.437 - 1.480
R-factor	0.1611
Rwork	0.161
R-free	0.18320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ets
RMSD bond length	0.008
RMSD bond angle	1.029
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]	48.437	48.437	1.570
High resolution limit [Å]	1.480	4.410	1.480
Rmerge	0.075	0.023	2.571
Rmeas	0.083	0.025	2.859
Number of reflections	128737	4846	20263
<I/σ(I)>	13.03	59.4	0.54
Completeness [%]	99.4	99.7	96.7
Redundancy	5.723	5.767	5.272
CC(1/2)	0.999	0.999	0.214

Crystallization Conditions

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