5X0Q

OxyR2 E204G variant (Cl-bound) 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	2016-12-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00820
Spacegroup name	C 2 2 21
Unit cell lengths	71.213, 138.232, 97.126
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.868 - 1.550
R-factor	0.1565
Rwork	0.155
R-free	0.18760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b7d
RMSD bond length	0.012
RMSD bond angle	1.209
Data reduction software	DENZO
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	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.091	0.419
Rpim	0.028	0.163
Number of reflections	69247
<I/σ(I)>	19.3	3.17
Completeness [%]	99.4	96
Redundancy	9.5	6.2

Crystallization Conditions

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