2BLF

Sulfite dehydrogenase from Starkeya Novella

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-09-27
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	97.466, 92.513, 55.897
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.138
Rwork	0.136
R-free	0.16900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sox
RMSD bond length	0.010
RMSD bond angle	1.340
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CCP4
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.060	0.190
Number of reflections	259001
<I/σ(I)>	9.1	3.5
Completeness [%]	95.6	77.5
Redundancy	5.7	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.4		0.1M HEPES PH 7.4, 2.2M AMMONIUM SULFATE, 2% PEG200