6F5R

Crystal Structure of KDM4D with GF028 ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-31
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9184
Spacegroup name	P 43 21 2
Unit cell lengths	72.149, 72.149, 152.392
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.412 - 1.607
R-factor	0.168
Rwork	0.167
R-free	0.19230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ets
RMSD bond length	0.012
RMSD bond angle	1.106
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]	48.378	48.378	1.700
High resolution limit [Å]	1.600	4.790	1.600
Rmerge	0.085	0.030	2.345
Rmeas	0.094	0.033	2.594
Number of reflections	99966	3774	15546
<I/σ(I)>	12.54	50.42	0.64
Completeness [%]	99.2	99.7	95.6
Redundancy	5.643	6.346	5.431
CC(1/2)	0.999	0.999	0.215

Crystallization Conditions

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