6O8L

Crystal Structure of C9S 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	2017-05-04
Detector	RDI CMOS_8M
Wavelength(s)	1.072152
Spacegroup name	P 61 2 2
Unit cell lengths	46.375, 46.375, 159.640
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.309 - 1.360
R-factor	0.15
Rwork	0.148
R-free	0.18820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pqj
RMSD bond length	0.006
RMSD bond angle	0.880
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]	53.210	1.410
High resolution limit [Å]	1.360	1.360
Rmerge		0.858
Rmeas	0.004	0.911
Rpim	0.009
Number of reflections	22858
<I/σ(I)>	44.3	2
Completeness [%]	97.3	89.9
Redundancy	17.4	8.7
CC(1/2)	1.000	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Crystallization condition: sodium citrate 1.8 M pH 6.4; Protein buffer: 20 mM Tris pH 8, 200 mM NaCl, 2mM TCEP, 2mM EDTA, 5% glycerol; SqrR 6 mg/ml