1GL3
ASPARTATE BETA-SEMIALDEHYDE DEHYDROGENASE IN COMPLEX WITH NADP AND SUBSTRATE ANALOGUE S-METHYL CYSTEINE SULFOXIDE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-10-15 |
| Detector | MAR scanner 300 mm plate |
| Spacegroup name | P 64 |
| Unit cell lengths | 121.000, 121.000, 94.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.000 - 2.600 |
| R-factor | 0.2 |
| Rwork | 0.200 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1brm |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.320 |
| Data reduction software | XDS |
| Data scaling software | CCP4 |
| Phasing software | CCP4 |
| Refinement software | X-PLOR (3.85) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.000 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.103 | 0.307 |
| Total number of observations | 41666 * | |
| Number of reflections | 22099 * | |
| <I/σ(I)> | 1.5 | |
| Completeness [%] | 96.3 | 61.6 |
| Redundancy | 1.9 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 * | 4 * | RESERVOIR: 19% PEG 4K, 0.35M MGCL2, 0.2 M NH4AC 0.1M TRIS, pH 4.60 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | HEPES | 10 (mM) | |
| 10 | 1 | reservoir | SMCS | 2 (mM) | |
| 11 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | dithiothreitol | 1 (mM) | |
| 3 | 1 | drop | EDTA | 1 (mM) | |
| 4 | 1 | drop | 1 (mM) | pH7.0 | |
| 5 | 1 | reservoir | PEG4000 | 19 (%) | |
| 6 | 1 | reservoir | 0.35 (M) | ||
| 7 | 1 | reservoir | ammonium acetate | 0.2 (M) | |
| 8 | 1 | reservoir | acetate | 0.1 (M) | pH4.6 |
| 9 | 1 | reservoir | NADP | 5 (mM) |
