5OD5
Periplasmic binding protein CeuE complexed with a synthetic catalyst
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 | 2017-04-17 |
| Detector | DECTRIS PILATUS3 R CdTe 300K |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 |
| Unit cell lengths | 56.692, 62.759, 68.195 |
| Unit cell angles | 87.38, 76.90, 79.27 |
Refinement procedure
| Resolution | 66.420 - 1.900 |
| R-factor | 0.1789 |
| Rwork | 0.177 |
| R-free | 0.22320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.851 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.420 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.113 | 1.622 |
| Number of reflections | 83133 | |
| <I/σ(I)> | 7.4 | |
| Completeness [%] | 97.9 | 100 |
| Redundancy | 5.3 | 6.4 |
| CC(1/2) | 0.997 | 0.502 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 9 | 293 | 0.1M succinic acid, sodium dihydrogen phosphate, glycine. 25% PEG1500 |
