1SG3

Structure of allantoicase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2003-07-04
Detector	ADSC QUANTUM 4
Wavelength(s)	0.96
Spacegroup name	P 63
Unit cell lengths	104.987, 104.987, 118.146
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 * - 2.600
R-factor	0.2
Rwork	0.200
R-free	0.27000 *
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	25.200 *
Data scaling software	CCP4 ((SCALA))
Phasing software	SHELXS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.220 *	2.660
High resolution limit [Å]	2.570 *	2.600
Rmerge	0.133 *	0.733 *
Total number of observations	277627 *
Number of reflections	21185 *
Completeness [%]	99.6 *	96.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	18 *	7% PEG 8000, 12% PEG 400, 100mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	reservoir	PEG8000	7 (%)
3	1	reservoir	PEG400	12 (%)
4	1	reservoir	HEPES	100 (mM)	pH7.5