1GEG
CRYATAL STRUCTURE ANALYSIS OF MESO-2,3-BUTANEDIOL DEHYDROGENASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL40B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL40B2 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-12-15 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.160, 109.780, 127.280 |
| Unit cell angles | 90.00, 102.29, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.700 |
| R-factor | 0.193 * |
| Rwork | 0.193 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.054 | 0.192 |
| Number of reflections | 203217 * | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 293 | PEG 6000, 100mM HEPES, magnesium chloride, glucose, 2-mercaptoethanol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG6000 | 20 (%) | |
| 10 | 1 | drop | 200 (mM) | ||
| 2 | 1 | reservoir | mercaptoethanol | 1 (%) | |
| 3 | 1 | reservoir | magnesium acetate | 200 (mM) | |
| 4 | 1 | reservoir | NAD+ | 1 (mg/ml) | |
| 5 | 1 | reservoir | glucose | 20 (%) | |
| 6 | 1 | reservoir | HEPES | 50 (mM) | |
| 7 | 1 | drop | protein | 10 (mg/ml) | |
| 8 | 1 | drop | Tris-HCl | 20 (mM) | |
| 9 | 1 | drop | meso-BD | 100 (mM) |
