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 |