5BJV
X-ray structure of the PglF UDP-N-acetylglucosamine 4,6-dehydratase from Campylobacterjejuni, D396N/K397A variant in complex with UDP-N-acrtylglucosamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-09-01 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.820, 108.468, 108.959 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.800 |
R-factor | 0.19419 |
Rwork | 0.192 |
R-free | 0.23167 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5bju |
RMSD bond length | 0.011 |
RMSD bond angle | 1.895 |
Data reduction software | SAINT |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.095 | 0.310 |
Number of reflections | 74633 | 10235 |
<I/σ(I)> | 7.7 | 2 |
Completeness [%] | 96.4 | 89.3 |
Redundancy | 4.2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 13% PEG-5000, 10 mM UDP, 100 mM MES, |