7ZVY
Thermococcus kadokarensis phosphomannose isomerase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-01 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.96 |
| Spacegroup name | P 31 |
| Unit cell lengths | 91.158, 91.158, 113.378 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 64.790 - 2.160 |
| R-factor | 0.2233 |
| Rwork | 0.221 |
| R-free | 0.28890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | alphafold2 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.169 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.790 | 2.200 |
| High resolution limit [Å] | 2.160 | 2.160 |
| Rmerge | 0.661 | |
| Number of reflections | 53371 | 5036 |
| <I/σ(I)> | 7.8 | |
| Completeness [%] | 99.2 | 98.4 |
| Redundancy | 2.2 | |
| CC(1/2) | 0.997 | 0.297 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | 0.2M ammonium phosphate, 0.1M Tris pH 8.5 and 50 % V/V MPD |
