5T5G

human SETD8 in complex with MS2177

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 32 2 1
Unit cell lengths	88.957, 88.957, 34.989
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.480 - 2.100
R-factor	0.2061
Rwork	0.205
R-free	0.22730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ij8
RMSD bond length	0.014
RMSD bond angle	1.485
Data scaling software	Aimless (0.5.25)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0151)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.480	44.480	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.081	0.041	0.985
Rmeas	0.085	0.044	1.033
Rpim	0.026	0.016	0.309
Total number of observations	102165	1046	8619
Number of reflections	9530
<I/σ(I)>	19.8	45	3.1
Completeness [%]	99.9	95.2	100
Redundancy	10.7	7.7	11.1
CC(1/2)	0.999	0.997	0.856

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	30% PEG-2000-MME, 0.1 M postassium thiocyanate, 0.1 M Bis-Tris