1KD0

Crystal Structure of beta-methylaspartase from Clostridium tetanomorphum. Apo-structure.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-12
Detector	MARRESEARCH
Wavelength(s)	0.946439
Spacegroup name	P 21 21 21
Unit cell lengths	67.281, 109.260, 108.991
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.740 - 1.900
R-factor	0.178
Rwork	0.175
R-free	0.22300 *
Structure solution method	SAD
RMSD bond length	0.031
RMSD bond angle	2.052
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SnB
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.860	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.094	0.398
Total number of observations	249409 *
Number of reflections	63750
<I/σ(I)>	6.1	0.019
Completeness [%]	99.9	99.9
Redundancy	3.9 *	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292	Tris-HCl, NaCl, PEG6000, ethylene glycol, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	20-25 (%(w/v))
2	1	reservoir	sodium acetate	100 (mM)	pH7.0
3	1	reservoir	Tris-HCl	25 (mM)	pH7.0
4	1	reservoir	ethylene glycol	16-22 (%)