1J58

Crystal Structure of Oxalate Decarboxylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F2
Synchrotron site	CHESS
Beamline	F2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-05-15
Detector	ADSC QUANTUM 4
Wavelength(s)	.9791, 0.9794, 0.9641, 0.9807
Spacegroup name	H 3 2
Unit cell lengths	154.700, 154.700, 123.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 * - 1.750
R-factor	0.181
Rwork	0.176
R-free	0.17840 *
RMSD bond length	0.005
RMSD bond angle	25.000 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	MLPHARE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.830	1.850
High resolution limit [Å]	1.750	1.750
Rmerge	0.083	0.325 *
Total number of observations	406760 *
Number of reflections	57307 *
<I/σ(I)>	7.1
Completeness [%]	99.9 *	99.7
Redundancy	7.1 *	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8	298	PEG 4000, Tris-Hcl, sodium chloride, pH 8.0, VAPOR DIFFUSION, temperature 298K
1	Vapor diffusion, hanging drop *	8	298	PEG 4000, Tris-Hcl, sodium chloride, pH 8.0, VAPOR DIFFUSION, temperature 298K
1	Vapor diffusion, hanging drop *	8	298	PEG 4000, Tris-Hcl, sodium chloride, pH 8.0, VAPOR DIFFUSION, temperature 298K
1	Vapor diffusion, hanging drop *	8	298	PEG 4000, Tris-Hcl, sodium chloride, pH 8.0, VAPOR DIFFUSION, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3 (mg/ml)
2	1	reservoir	PEG4000	6 (%(w/w))
3	1	reservoir	Tris	200 (mM)	pH8.0