7ANC
MlghC, GDP-mannoheptose C4 reductase from Campylobacter jejuni with NADP bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-04 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9282 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.800, 131.960, 59.330 |
| Unit cell angles | 90.00, 105.84, 90.00 |
Refinement procedure
| Resolution | 65.980 - 1.660 |
| R-factor | 0.17416 |
| Rwork | 0.173 |
| R-free | 0.20231 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bsv |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.490 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.000 | 1.700 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.059 | 0.760 |
| Number of reflections | 94907 | 7016 |
| <I/σ(I)> | 11.8 | |
| Completeness [%] | 99.2 | 99 |
| Redundancy | 3.7 | 3.1 |
| CC(1/2) | 1.000 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 24.63 % (w/v) PEG 8000, 0.1 M Bicine pH 8.5, 0.12 M sodium citrate 0.05 % (w/v). |
