5LWQ
CeuE (H227L variant) a periplasmic protein from Campylobacter jejuni
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 | 2016-04-30 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 1 |
| Unit cell lengths | 56.921, 62.560, 67.789 |
| Unit cell angles | 82.21, 76.99, 76.18 |
Refinement procedure
| Resolution | 65.520 - 1.520 |
| R-factor | 0.18654 |
| Rwork | 0.185 |
| R-free | 0.22129 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zkw |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.338 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.520 | 1.550 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.060 | 0.486 |
| Number of reflections | 129426 | |
| <I/σ(I)> | 9.5 | 2.3 |
| Completeness [%] | 95.4 | 94.6 |
| Redundancy | 3.5 | 3.5 |
| CC(1/2) | 0.996 | 0.710 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.2M NaBr; 0.1M BTP, pH 8.5; 20% Peg 3350 |
