9CR7

Structure of human SETD8 in complex with covalent inhibitor AM2928

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	35.715, 102.457, 110.713
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.360 - 2.050
R-factor	0.2139
Rwork	0.213
R-free	0.23260
Structure solution method	MIR
RMSD bond length	0.004
RMSD bond angle	0.609
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	110.710	2.160
High resolution limit [Å]	2.050	2.050
Rmerge	0.050	0.781
Rmeas	0.053	0.814
Rpim	0.015	0.226
Total number of observations	333480	46155
Number of reflections	26231	3645
<I/σ(I)>	22.1	3.1
Completeness [%]	99.4
Redundancy	12.7	12.7
CC(1/2)	1.000	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	290	20% PEG 3350 and 0.2 M Lithium Nitrate