6ED0

OhrA (Organic Hydroperoxide Resistance protein) mutant (C61S) in the "open conformation" from chromobacterium violaceum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-03-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 32
Unit cell lengths	41.963, 41.963, 123.586
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.000 - 1.440
R-factor	0.19239
Rwork	0.191
R-free	0.21321
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ecy
RMSD bond length	0.012
RMSD bond angle	1.621
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.340	1.470
High resolution limit [Å]	1.440	1.440
Rmeas	0.038	2.629
Rpim	0.017	1.261
Number of reflections	43151	1879
<I/σ(I)>	25.5
Completeness [%]	97.9	84.1
Redundancy	10.1	8.3
CC(1/2)	1.000	0.547

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	purified ohr protein at 10mg/ml in 5mM Tris-Hcl, pH 7.4 & 50mM NaCl) Crystallisation conditions: Ammonium sulfate 200mM, Sodium acetate 100mM pH 4, PEG 2,000 30%w/v