1MB4

Crystal structure of aspartate semialdehyde dehydrogenase from vibrio cholerae with NADP and S-methyl-l-cysteine sulfoxide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	90
Detector technology	CCD
Collection date	2001-09-01
Detector	ADSC QUANTUM 4
Wavelength(s)	1.000
Spacegroup name	P 43 21 2
Unit cell lengths	107.630, 107.630, 153.538
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 1.840
R-factor	0.192
Rwork	0.192
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gl3
RMSD bond length	0.007
RMSD bond angle	23.200 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	1.910
High resolution limit [Å]	1.840	1.840
Rmerge	0.084	0.340
Total number of observations	1811452 *
Number of reflections	149813 *
<I/σ(I)>	19.4	3.59
Completeness [%]	99.5	95.4
Redundancy	12.2	10.45

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	20% PEG 3350, 0.2M Sodium Acetate, 0.1M Sodium citrate pH 5.6, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	NADP	5 (mM)
2	1	drop	SMCS	5 (mM)
3	1	drop	enzyme	12 (mg/ml)
4	1	reservoir	PEG3350	22 (%)
5	1	reservoir	sodium acetate	0.2 (M)
6	1	reservoir	sodium citrate	0.1 (M)	pH5.6