2A9C

Crystal structure of R138Q mutant 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	2004-08-24
Detector	ADSC QUANTUM 4
Wavelength(s)	1.100
Spacegroup name	P 1 21 1
Unit cell lengths	53.905, 122.572, 55.180
Unit cell angles	90.00, 94.97, 90.00

Refinement procedure

Resolution	30.000 - 2.505
R-factor	0.16
Rwork	0.156
R-free	0.23700
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2a9a
RMSD bond length	0.015
RMSD bond angle	1.721
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.157	0.078	0.520
Number of reflections	23882
Completeness [%]	97.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	PEG 4000, Magnesium sulfate, HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K