8S6Q

RosC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-28
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	75.900, 75.900, 162.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.000 - 1.700
R-factor	0.2115
Rwork	0.211
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.572
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.800
High resolution limit [Å]	1.700	12.000	1.700
Rmerge	0.061	0.029	1.390
Rmeas	0.066	0.032	1.501
Number of reflections	52968	207	8166
<I/σ(I)>	12.99
Completeness [%]	99.9
Redundancy	6.9
CC(1/2)	0.999	0.998	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.7	293	PEG 3350, Bis-tris-propane, NaJ