2C9X

Sulfite dehydrogenase from Starkeya Novella Y236F mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-11-05
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	97.323, 93.214, 56.136
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.168
Rwork	0.166
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2blf
RMSD bond length	0.013
RMSD bond angle	1.391
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.110	0.600
Number of reflections	46488
<I/σ(I)>	14.5	2.2
Completeness [%]	96.8	82.1
Redundancy	6.2	4

Crystallization Conditions

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