2PK3
Crystal Structure of a GDP-4-keto-6-deoxy-D-mannose reductase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-10-27 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.882, 55.744, 79.244 |
| Unit cell angles | 72.54, 82.95, 75.61 |
Refinement procedure
| Resolution | 29.790 - 1.820 |
| R-factor | 0.16649 |
| Rwork | 0.165 |
| R-free | 0.19890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rpn |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.476 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.800 | 1.890 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.076 | 0.430 |
| Number of reflections | 64129 | |
| <I/σ(I)> | 13.4 | 3.7 |
| Completeness [%] | 96.6 | 95.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 35% pentaerythritol propoxylate (5/4 PO/OH), 100 mM Tris, 200 mM NaCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
