5B7H

OxyR2 regulatory domain C206S mutant 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	CCD
Collection date	2014-10-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97960
Spacegroup name	C 2 2 21
Unit cell lengths	72.703, 137.580, 96.914
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.808 - 1.492
R-factor	0.163
Rwork	0.161
R-free	0.19380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5B6U
RMSD bond length	0.015
RMSD bond angle	1.339
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.520
High resolution limit [Å]	1.490	1.490
Rmerge	0.099
Number of reflections	79030
<I/σ(I)>	10.9	7.3
Completeness [%]	99.9	99.9
Redundancy	10.9	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	287	0.2M ammonium sulfate, 0.1M sodium citrate (pH 5.6), 15% PEG 4000, 2mM TCEP