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 |