6F5Q

Crystal Structure of KDM4D with GF026 ligand

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	2017-10-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 43 21 2
Unit cell lengths	72.437, 72.437, 151.666
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.528 - 1.430
R-factor	0.1438
Rwork	0.143
R-free	0.17360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ets
RMSD bond length	0.010
RMSD bond angle	1.138
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]	48.528	48.528	1.510
High resolution limit [Å]	1.430	4.260	1.430
Rmerge	0.090	0.030	1.800
Rmeas	0.099	0.033	1.978
Number of reflections	143054	5336	22737
<I/σ(I)>	13.14	50.76	0.88
Completeness [%]	99.6	99.6	97.8
Redundancy	5.754	5.932	5.7
CC(1/2)	0.999	0.999	0.395

Crystallization Conditions

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