7PWB
dTDP-sugar epimerase from Coxiella burnetii in complex with dTDP
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 78.882, 82.151, 163.831 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.915 - 1.870 |
| Rwork | 0.209 |
| R-free | 0.23660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ixi |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.588 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MoRDa |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.915 | 1.995 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Number of reflections | 37452 | 1874 |
| <I/σ(I)> | 12.5 | |
| Completeness [%] | 84.8 | 25 |
| Redundancy | 6.6 | |
| CC(1/2) | 0.998 | 0.670 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 291 | 7% PEG 4000 (w/v), 30% PEG 400, 5% dTDP (v/v), 29 mM citrate buffer pH 4.5 |
