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 |