1J3U

Crystal structure of aspartase from Bacillus sp. YM55-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-18B
Synchrotron site	Photon Factory
Beamline	BL-18B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-02-01
Detector	FUJI
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	74.900, 139.400, 100.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.100 * - 2.500
R-factor	0.221
Rwork	0.221
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	21.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.100	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.102	0.333 *
Total number of observations	67393 *
Number of reflections	33398
Completeness [%]	90.1	71.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	30 *	PEG4000, 2-propanol, HEPES-Na, magnesium chloride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 303K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	potassium phosphate	50 (mM)	pH7.5
2	1	drop	enzyme	10 (mg/ml)
3	1	reservoir	PEG4000	25 (%(w/v))
4	1	reservoir	2-propanol	10 (%(v/v))
5	1	reservoir	sodium HEPES	0.1 (M)	pH7.5