5IN4
Crystal Structure of GDP-mannose 4,6 dehydratase bound to a GDP-fucose based inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2014-07-15 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.028, 140.077, 85.953 |
| Unit cell angles | 90.00, 106.24, 90.00 |
Refinement procedure
| Resolution | 29.575 - 1.600 |
| R-factor | 0.1476 |
| Rwork | 0.146 |
| R-free | 0.17620 |
| 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] | 30.000 | 30.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
| Rmerge | 0.079 | 0.045 | 0.525 |
| Rmeas | 0.094 | ||
| Rpim | 0.051 | ||
| Total number of observations | 600654 | ||
| Number of reflections | 184649 | ||
| <I/σ(I)> | 10.6 | ||
| Completeness [%] | 98.6 | 99.8 | 89.9 |
| Redundancy | 3.3 | 3.5 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M potassium fluoride and 20% PEG 3350. The crystals were briefly transferred to a cryoprotectant consisting of 0.2 M potassium fluoride, 20% PEG 3350, and 20% glycerol and flash frozen in liquid nitrogen |
