5COH

Crystal structure of a novel disulfide oxidoreductase from Deinococcus radiodurans crystallized in presence of beta-mercaptoethanol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	OTHER
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-23
Detector	OXFORD TITAN CCD
Wavelength(s)	1.54056
Spacegroup name	P 21 2 21
Unit cell lengths	47.856, 62.350, 86.666
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.970 - 1.801
R-factor	0.1763
Rwork	0.174
R-free	0.21760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cnw
RMSD bond length	0.007
RMSD bond angle	0.877
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1682))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.770	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.073	0.551
Number of reflections	24630
<I/σ(I)>	15.9	1.9
Completeness [%]	99.6	98.2
Redundancy	4.9	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	PEG 8000, Glycerol, Sodium acetate