6EB4

OhrB (Organic Hydroperoxide Resistance protein) from Chromobacterium violaceum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2014-10-13
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.458660
Spacegroup name	P 61
Unit cell lengths	87.269, 87.269, 178.779
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.000 - 2.100
R-factor	0.19338
Rwork	0.192
R-free	0.22033
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n2f
RMSD bond length	0.015
RMSD bond angle	1.754
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]	46.800	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.070	2.610
Rmeas	0.080	2.460
Rpim	0.030	1.160
Number of reflections	43780	3282
<I/σ(I)>	22.5	0.9
Completeness [%]	97.5	89.3
Redundancy	14.3	8.5
CC(1/2)	0.990	0.370

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	291.15	Purified protein at 10mg/ml diluted in 5mM Tris-Hcl pH 7.4 Crystallisation condition: Magnesium Clhoride 200mM, BIS-TRIS 100mM pH 5.5, PEG 3,350 25%w/v