2V4J

THE CRYSTAL STRUCTURE OF Desulfovibrio vulgaris DISSIMILATORY SULFITE REDUCTASE BOUND TO DsrC PROVIDES NOVEL INSIGHTS INTO THE MECHANISM OF SULFATE RESPIRATION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	77
Detector technology	CCD
Collection date	2007-02-24
Detector	ADSC CCD
Wavelength(s)	1.033, 1.742
Spacegroup name	P 1 21 1
Unit cell lengths	65.410, 118.900, 132.240
Unit cell angles	90.00, 104.13, 90.00

Refinement procedure

Resolution	128.040 - 2.100
R-factor	0.1916
Rwork	0.190
R-free	0.21880
Structure solution method	MAD
Starting model (for MR)	NONE
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.290	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.050	0.490
Number of reflections	112244
<I/σ(I)>	13.2	2
Completeness [%]	98.1	88.7
Redundancy	3.1	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				12.5% PEG 4000, 0.1M TRIS-HCL PH 8.5, 0.2M MGCL2