8V4H
X-ray structure of the NADP-dependent reductase from Campylobacter jejuni responsible for the synthesis of CDP-glucitol in the presence of CDP-glucitol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-16 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.760, 101.593, 133.304 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.060 - 2.200 |
| R-factor | 0.21056 |
| Rwork | 0.207 |
| R-free | 0.28217 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.580 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 37429 | 4430 |
| <I/σ(I)> | 16.4 | 3.4 |
| Completeness [%] | 96.9 | 93.1 |
| Redundancy | 11.7 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | Protein incubated with 5 mM CDP-glucitol and 5 mN NADPH. Precipitant: 10-14 % w/v poly(ethylene glycol) 8000, 200 mM LiCl, and 100 mM HEPPS (pH 8.0) |
