5X0V

Reduced form of regulatory domain of OxyR2 from Vibrio vulnificus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97940
Spacegroup name	C 2 2 21
Unit cell lengths	70.204, 138.348, 97.473
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.736 - 1.600
R-factor	0.161
Rwork	0.159
R-free	0.19160
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.310
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.088	0.343
Rpim	0.027	0.164
Number of reflections	62093
<I/σ(I)>	18.6	2.45
Completeness [%]	98.7	95.5
Redundancy	8	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	287	0.2M ammonium citrate (pH 6.5), 14% (w/v) PEG 3350, 2mM TCEP (Tris(2-carboxyethyl)phosphine), 5mM DTT