6ECU

SeMet substituted StiD O-MT residues 976-1266

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	38.300, 52.400, 68.700
Unit cell angles	89.60, 88.30, 81.10

Refinement procedure

Resolution	41.290 - 1.960
R-factor	0.181
Rwork	0.178
R-free	0.22700
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.290	41.290	2.010
High resolution limit [Å]	1.960	8.770	1.960
Rmerge	0.066	0.038	0.872
Rmeas	0.078	0.044	1.120
Number of reflections	36676	417	2396
<I/σ(I)>	8.7	24	0.94
Completeness [%]	96.7	99	84.1
Redundancy	3.484	3.835	2.274
CC(1/2)	0.998	0.998	0.487

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	27% PEG 4000, 0.77 M LiCl, 0.1 M Tris pH 7.0