3F29

Structure of the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase in complex with sulfite

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-10-24
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.840
Spacegroup name	P 21 3
Unit cell lengths	193.568, 193.568, 193.568
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.970 - 2.000
R-factor	0.15476
Rwork	0.154
R-free	0.17395
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.259
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.080
High resolution limit [Å]	2.000	2.020
Rmerge	0.060	0.062
Number of reflections	157823
<I/σ(I)>	25.5	13.3
Completeness [%]	97.6	97.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.7	278	Protein solution (5mcl): 14.5mg/ml TvNiR, 0.005M Tris borate (pH8.7), Reservoir solution (5mcl): 0.2M tri-sodium citrate dihydrate, 0.1M Tris hydrochloride (pH8.5), 30% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 278.0K