2A9A

Crystal structure of recombinant chicken sulfite oxidase with the bound product, sulfate, at the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-14
Detector	ADSC QUANTUM 4
Wavelength(s)	1.100
Spacegroup name	P 1 21 1
Unit cell lengths	54.001, 123.170, 55.482
Unit cell angles	90.00, 94.70, 90.00

Refinement procedure

Resolution	30.000 - 2.003
R-factor	0.162
Rwork	0.159
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID is 2A99
RMSD bond length	0.016
RMSD bond angle	1.724
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.105	0.048	0.553
Number of reflections	48006
Completeness [%]	99.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	PEG 4000, Magnesium sulfate, MES , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K