8V4G
X-ray structure of the NADP-dependent reductase from Campylobacter jejuni responsible for the synthesis of CDP-glucitol in the presence of CDP and NADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-05 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.354, 102.440, 141.695 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.050 - 2.000 |
| R-factor | 0.19423 |
| Rwork | 0.191 |
| R-free | 0.25369 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.684 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 49653 | 6294 |
| <I/σ(I)> | 16.5 | 2.6 |
| Completeness [%] | 98.4 | 94.5 |
| Redundancy | 11.8 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | protein incubated with 5 mM CDP and 5 mM NADP. Precipitant: 10-14 % w/v poly(ethylene glycol) 8000, 2% v/v hexyleneglycol, and 100 mM CHES (pH 9.0) |
