6O8O

Crystal Structure of C9S disulfide state of Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2018-08-08
Detector	RDI CMOS_8M
Wavelength(s)	0.97625
Spacegroup name	P 32 2 1
Unit cell lengths	92.600, 92.600, 148.980
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.660 - 2.500
R-factor	0.2307
Rwork	0.229
R-free	0.26040
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.525
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.660	2.590
High resolution limit [Å]	2.500	2.500
Rmeas	0.115
Rpim	0.025	0.622
Number of reflections	24511	2489
<I/σ(I)>	27.2	1.7
Completeness [%]	99.7	100
Redundancy	21.1	18.7
CC(1/2)	1.000	0.660

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Crystallization buffer: 0.1M Bis-tris propane pH 5.5-6.5, 1.6-1.85M Ammonium sulfate; Protein buffer: 20 mM Tris pH=8, 200 mM NaCl, 2mM EDTA, SqrR 6 mg/ml