8BKD

structure of RutB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	122.920, 111.610, 128.980
Unit cell angles	90.00, 99.14, 90.00

Refinement procedure

Resolution	48.220 - 1.400
R-factor	0.1688
Rwork	0.169
R-free	0.21240
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.792
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXCD
Refinement software	PHENIX (1.18rc2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.220	1.450
High resolution limit [Å]	1.400	1.400
Number of reflections	661819	64589
<I/σ(I)>	11.03
Completeness [%]	98.3
Redundancy	11.1
CC(1/2)	0.990	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	PEG