6EBG

Ohr (Organic Hydroperoxide Resistance protein) mutant - C60S interacting with dihydrolipoamide

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 61
Unit cell lengths	88.646, 88.646, 180.107
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.800 - 2.150
R-factor	0.20227
Rwork	0.201
R-free	0.23595
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6eb4
RMSD bond length	0.012
RMSD bond angle	1.780
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]	39.800	2.220
High resolution limit [Å]	2.150	2.150
Rmeas	0.227	5.789
Rpim	0.070	1.913
Number of reflections	40280	3786
<I/σ(I)>	14.1
Completeness [%]	92.5	99.9
Redundancy	19.8	17.9
CC(1/2)	0.999	0.463

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	Purified Ohr_C60S protein 10mg/ml in 5mM Tris-Hcl pH 7.4 Crystallisation conditions: Magnesium Clhoride 200mM, BIS-TRIS 100mM pH 5.5, PEG 3,350 25%w/v crystal was soaked overnight in Lipoamide 5mM, solved in 5% ethanol and Crystallisation condition