3SXQ

Structure of a hexameric multiheme c nitrite reductase from the extremophile bacterium Thiolkalivibrio paradoxus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-13
Detector	MAR CCD 165 mm
Wavelength(s)	0.800
Spacegroup name	P 21 3
Unit cell lengths	193.640, 193.640, 193.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.900 - 1.900
R-factor	0.1394
Rwork	0.138
R-free	0.16205
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ot4
RMSD bond length	0.020
RMSD bond angle	1.493
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.900	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.098	0.521
Number of reflections	186813
<I/σ(I)>	9.47	2.24
Completeness [%]	98.9	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	free-interface-diffusion technique	6.5	278	14 mg/mL protein, 0.02M cobalt chloride, 0.1M MES (pH 6.5), 2.8 M ammonium sulfate, free-interface-diffusion technique, temperature 278.0K