8EWU
X-ray structure of the GDP-6-deoxy-4-keto-D-lyxo-heptose-4-reductase from Campylobacter jejuni HS:15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-10 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.761, 56.625, 67.380 |
| Unit cell angles | 87.96, 81.96, 70.12 |
Refinement procedure
| Resolution | 33.380 - 1.450 |
| R-factor | 0.1899 |
| Rwork | 0.188 |
| R-free | 0.21870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7m13 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.743 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Number of reflections | 121498 | 20129 |
| <I/σ(I)> | 18.4 | 3.2 |
| Completeness [%] | 96.2 | 87.9 |
| Redundancy | 6.8 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | Protein pre-incubated with 5.0 mM GDP, 5.0 mM NADPH. Precipitant: 18-22% PEG3350, 2% isopropanol, 100 mM HEPES, pH 7.5 |
