7US5
X-ray crystal structure of GDP-D-glycero-D-manno-heptose 4,6-Dehydratase from Campylobacter jejuni
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-03 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 112.673, 182.950, 75.397 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.970 - 2.100 |
| R-factor | 0.1715 |
| Rwork | 0.169 |
| R-free | 0.22090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pk3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.565 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 91209 | 11616 |
| <I/σ(I)> | 11.2 | 3 |
| Completeness [%] | 99.5 | 98.6 |
| Redundancy | 6.9 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | Protein incubated with 5 mM GDP. Precipitant used was 6-10% PEG-8000, 200 mM tetramethylammonium chloride, 100 mM HEPPS (pH 8) |
