5BJW
X-ray structure of the PglF 4,6-dehydratase from campylobacter jejuni, T595S variant, 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 1 21 1 |
| Unit cell lengths | 59.168, 69.237, 101.544 |
| Unit cell angles | 90.00, 100.41, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.600 |
| R-factor | 0.17487 |
| Rwork | 0.173 |
| R-free | 0.20508 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5bju |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.722 |
| 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 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.063 | 0.106 |
| Number of reflections | 104005 | 5250 |
| <I/σ(I)> | 45.7 | 23.6 |
| Completeness [%] | 97.6 | 99.7 |
| Redundancy | 4.5 | 4 |
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 |
