8T85

Structure of RssB bound to beryllofluoride

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-E
Synchrotron site	APS
Beamline	21-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97911
Spacegroup name	C 2 2 21
Unit cell lengths	41.366, 119.035, 135.973
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.990 - 2.380
R-factor	0.2278
Rwork	0.222
R-free	0.27770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6od1
RMSD bond length	0.009
RMSD bond angle	1.081
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	135.970	2.470
High resolution limit [Å]	2.380	2.380
Rpim	0.113	0.691
Number of reflections	13903	1314
<I/σ(I)>	1.1
Completeness [%]	99.7
Redundancy	7.6
CC(1/2)	0.980	0.339

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	300mM magnesium nitrate hexahydrate, 22% w/v PEG 3350