5BJY
x-ray structure of the PglF 4,5-dehydratase from campylobacter jejuni, variant M405Y, 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 | 69.508, 108.273, 109.657 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.000 - 1.600 |
R-factor | 0.17049 |
Rwork | 0.169 |
R-free | 0.19599 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5bju |
RMSD bond length | 0.013 |
RMSD bond angle | 1.871 |
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 | 0.066 | 0.126 |
Number of reflections | 103648 | 9614 |
<I/σ(I)> | 58.3 | 10.9 |
Completeness [%] | 94.7 | 88.4 |
Redundancy | 6.6 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 20% PEG-5000, 2% MPD, 10 MM UDP, 100 MM MES |