5MNS
Structural and functional characterization of OleP in complex with 6DEB in sodium formate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-06-27 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 247.600, 110.800, 159.100 |
| Unit cell angles | 90.00, 129.60, 90.00 |
Refinement procedure
| Resolution | 120.000 - 2.620 |
| R-factor | 0.211 |
| Rwork | 0.208 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xe3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.379 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 120.000 | 2.780 |
| High resolution limit [Å] | 2.620 | 2.620 |
| Rmerge | 0.100 | 0.800 |
| Number of reflections | 98805 | |
| <I/σ(I)> | 13.63 | |
| Completeness [%] | 99.5 | 97 |
| Redundancy | 6.09 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 4M HCOONa |
