6O8K

Crystal Structure of apo and reduced 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	2017-06-13
Detector	RDI CMOS_8M
Wavelength(s)	1.072152
Spacegroup name	P 61 2 2
Unit cell lengths	46.849, 46.849, 163.306
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.778 - 2.120
R-factor	0.2253
Rwork	0.223
R-free	0.26420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pqk
RMSD bond length	0.014
RMSD bond angle	1.290
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]	54.440	2.190
High resolution limit [Å]	2.120	2.120
Rmeas	0.083
Rpim	0.019
Number of reflections	6628
<I/σ(I)>	26.6
Completeness [%]	100.0
Redundancy	19.4
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Crystallization buffer: 2.5M ammonium sulfate, 0.1M sodium acetate pH 4.6; Protein buffer: 20 mM Tris pH 8, 200 mM NaCl, 2mM TCEP, 2mM EDTA, 5% glycerol; SqrR 6 mg/ml