1E5D

RUBREDOXIN OXYGEN:OXIDOREDUCTASE (ROO) FROM ANAEROBE DESULFOVIBRIO GIGAS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	1993-11-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	98.240, 101.250, 90.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.500
R-factor	0.1618 *
R-free	0.24770
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	0.019
Data reduction software	HKL
Data scaling software	HKL
Phasing software	SHELXL-97
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.400	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.066	0.265
Total number of observations	123925 *
Number of reflections	31676
<I/σ(I)>	17.5	4.7
Completeness [%]	99.6	96.9 *
Redundancy	3.5	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	4-10 *	VAPOUR DIFFUSION IN SITTING DROP. DROPS OF PROTEIN SOLUTION 10MG/ML AND ALIQUOTS OF PRECIPITANT SOLUTION COMPOSED OF PEG 6 K 10%, TRIS-MALEIC BUFFER 0.1 M PH 6.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG6000	10 (%(v/v))
3	1	reservoir	Tris-maleate	100 (mM)	pH6.0