2Q37

Crystal structure of OHCU decarboxylase in the presence of (S)-allantoin

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-01-19
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97948, 0.97961, 0.97181, 0.97956
Spacegroup name	P 31 2 1
Unit cell lengths	73.582, 73.582, 69.647
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.500
R-factor	0.215
Rwork	0.215
R-free	0.25900
Structure solution method	MAD
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.095	0.479
Number of reflections	7843
Completeness [%]	99.9	100
Redundancy	9.4	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	0.1 M HEPES (pH 7.5), 20 mM MgCl2, 16% polyacrylic acid 5100, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	0.1 M HEPES (pH 7.5), 20 mM MgCl2, 16% polyacrylic acid 5100, VAPOR DIFFUSION, HANGING DROP, temperature 295K