5NW7
Crystal structure of candida albicans phosphomannose isomerase in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 87.970, 107.860, 44.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.980 - 1.850 |
| R-factor | 0.1732 |
| Rwork | 0.171 |
| R-free | 0.20690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pmi |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.873 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.980 | 1.960 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmeas | 0.120 | 1.110 |
| Number of reflections | 36611 | 5752 |
| <I/σ(I)> | 8.92 | 1.16 |
| Completeness [%] | 99.5 | 98.4 |
| Redundancy | 5.3 | 5.4 |
| CC(1/2) | 0.997 | 0.610 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | PEG 3350, magnesium chloride, Bis Tris buffer |
