2Z1M
Crystal Structure of GDP-D-Mannose Dehydratase from Aquifex aeolicus VF5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-14 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.799, 151.164, 85.934 |
| Unit cell angles | 90.00, 108.60, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.2 |
| Rwork | 0.198 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.187 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.074 | 0.209 |
| Number of reflections | 94553 | |
| <I/σ(I)> | 19.6 | 5.4 |
| Completeness [%] | 99.0 | 93 |
| Redundancy | 4.9 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 293 | 0.2M Sodium chloride , 0.1M NA/K PHOSPHATE, 40% PEG 400, pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
