7ANI
DdahB, GDP-mannoheptose C3,5 epimerase from Campylobacter jejuni
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2016-10-04 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.750, 68.190, 53.670 |
| Unit cell angles | 90.00, 91.36, 90.00 |
Refinement procedure
| Resolution | 34.100 - 1.300 |
| R-factor | 0.1496 |
| Rwork | 0.148 |
| R-free | 0.17470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dzr |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.603 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.100 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.047 | 0.570 |
| Number of reflections | 76397 | 4400 |
| <I/σ(I)> | 13.9 | 1.1 |
| Completeness [%] | 95.0 | 75 |
| Redundancy | 2.7 | 1.4 |
| CC(1/2) | 1.000 | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 24 % (w/v) PEG 1500, 20 % (v/v) glycerol |
