1BRM
ASPARTATE BETA-SEMIALDEHYDE DEHYDROGENASE FROM ESCHERICHIA COLI
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MAR scanner 300 mm plate |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 174.890, 117.050, 58.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.000 - 2.500 |
| R-factor | 0.225 |
| Rwork | 0.225 |
| R-free | 0.29300 * |
| Structure solution method | SIR |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.180 * |
| Data reduction software | HKL |
| Data scaling software | HKL |
| Phasing software | X-PLOR (3.85) |
| Refinement software | X-PLOR (3.85) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.590 |
| High resolution limit [Å] | 2.400 | 2.490 |
| Rmerge | 0.046 * | 0.177 |
| Total number of observations | 116166 * | |
| Number of reflections | 37745 | |
| <I/σ(I)> | 15.8 | |
| Completeness [%] | 86.0 * | 59.9 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 * | 4 * | pH 8.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 10 (mg/ml) | |
| 2 | 1 | drop | HEPES | 10 (mM) | |
| 3 | 1 | drop | dithiothreitol | 1 (mM) | |
| 4 | 1 | drop | EDTA | 1 (M) | |
| 5 | 1 | drop | 1 (mM) | ||
| 6 | 1 | reservoir | PEG4000 | 19 (%) | |
| 7 | 1 | reservoir | 0.35 (M) | ||
| 8 | 1 | reservoir | Tris-HCl | 0.1 (M) |
