6ECY

OhrA (Organic Hydroperoxide Resistance protein) wild type from chromobacterium violaceum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-04-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 32 2 1
Unit cell lengths	138.094, 138.094, 45.116
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.000 - 1.400
R-factor	0.15272
Rwork	0.151
R-free	0.17916
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n2f
RMSD bond length	0.016
RMSD bond angle	1.667
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]	36.010	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.052
Rmeas	0.054	3.912
Rpim	0.017	1.241
Number of reflections	94442	92394
<I/σ(I)>	26.9	0.8
Completeness [%]	97.4	100
Redundancy	19.7	19.3
CC(1/2)	1.000	0.516

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291.15	Purified OhrA protein 10mg/ml in 5mM Tris-Hcl pH 7.4 Crystallisation conditions: Potassium Sodium Tartrate 200mM, Tri-Sodium Citrate 100mM pH 5.5, Ammonium Sulfate 2M