5IN5
Crystal Structure of GDP-mannose 4,6 dehydratase in complex with natural inhibitor GDP-Fucose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2012-10-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.137, 140.164, 86.028 |
| Unit cell angles | 90.00, 106.32, 90.00 |
Refinement procedure
| Resolution | 19.888 - 1.900 |
| R-factor | 0.1516 |
| Rwork | 0.149 |
| R-free | 0.19750 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.925 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10_2142) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.080 | 1.900 |
| Rmerge | 0.115 | 0.052 | 0.609 |
| Total number of observations | 388629 | ||
| Number of reflections | 107619 | ||
| <I/σ(I)> | 7.5 | ||
| Completeness [%] | 94.9 | 98.3 | 91.3 |
| Redundancy | 3.6 | 3.8 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M MES pH5.0, 10% PEG 6000, a final cryoprotectant containing 0.1 M MES pH5.0, 10% PEG6K, 20% glycerol |
