5V2N

Crystal Structure of APO Human SETD8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-10
Detector	ADSC QUANTUM 4
Wavelength(s)	0.98
Spacegroup name	P 43 21 2
Unit cell lengths	60.620, 60.620, 80.708
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.520 - 2.000
R-factor	0.1862
Rwork	0.183
R-free	0.24990
RMSD bond length	0.010
RMSD bond angle	1.406
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.131	0.048
Rmeas	0.135	0.050
Rpim	0.040	0.014	0.402
Total number of observations	154975
Number of reflections	10711
<I/σ(I)>	6
Completeness [%]	99.8	100	97
Redundancy	14.5	13.6	8.9
CC(1/2)		0.999	0.734

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% PEGMME 550, 5% ethylene glycol, and 100 mM TRIS (pH 8.2-8.8)