6N0S

N-terminal domain of Staphylothermus marinus McrB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-19
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 43 21 2
Unit cell lengths	62.406, 62.406, 118.633
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.260 - 1.920
Rwork	0.196
R-free	0.23560
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELXCD
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.260	2.090
High resolution limit [Å]	1.920	1.920
Rmerge	0.111	1.068
Number of reflections	29031	8197
<I/σ(I)>	19.9	3.63
Completeness [%]	99.9	100
Redundancy	42.2	24.2
CC(1/2)	0.999	0.964

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.1 M Bis-Tris propane, pH 7.5, 0.2 M sodium sulfate, 23% PEG3350