6ECT

StiE O-MT residues 961-1257

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	2016-02-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033
Spacegroup name	P 43 21 2
Unit cell lengths	90.866, 90.866, 84.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.637 - 1.420
R-factor	0.1678
Rwork	0.167
R-free	0.18530
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.637	40.637	1.500
High resolution limit [Å]	1.420	4.230	1.420
Rmerge	0.064	0.038	0.969
Rmeas	0.065	0.039	0.992
Number of reflections	67400	2789	10359
<I/σ(I)>	29.87	84.05	3.2
Completeness [%]	99.0	99.8	96
Redundancy	24.346	22.59	21.832
CC(1/2)	1.000	1.000	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	10% PEG 3350, 0.1 M sodium formate