5BJX
X-ray structure of the PglF 4,6-dehydratase from campylobacter jejuni, variant T395V, in complex with UDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-06-10 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.229, 108.251, 108.374 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.000 - 1.600 |
| R-factor | 0.16277 |
| Rwork | 0.162 |
| R-free | 0.18483 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5bju |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.733 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.067 | 0.121 |
| Number of reflections | 106859 | 10499 |
| <I/σ(I)> | 58.1 | 21.2 |
| Completeness [%] | 99.0 | 98.4 |
| Redundancy | 6.8 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 22% PEG-5000, 2% MPD, 10 mM UDP, 100 mM MES |
