6ETW

Crystal structure of KDM4D with tetrazolhydrazide compound 3

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	2016-10-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 43 21 2
Unit cell lengths	71.674, 71.674, 150.662
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.036 - 1.350
R-factor	0.1287
Rwork	0.128
R-free	0.15870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ets
RMSD bond length	0.028
RMSD bond angle	2.328
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]	48.036	48.036	1.430
High resolution limit [Å]	1.350	4.030	1.350
Rmerge	0.071	0.023	0.955
Rmeas	0.077	0.025	1.034
Total number of observations	1122708
Number of reflections	165316	6205	26447
<I/σ(I)>	16.41	63.98	1.84
Completeness [%]	99.6	99.9	98.3
Redundancy	6.791	6.834	6.804
CC(1/2)	0.999	1.000	0.676

Crystallization Conditions

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