7Q6R
OleP mutant E89Y in complex with 6DEB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-01-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9788 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 248.135, 111.117, 160.543 |
| Unit cell angles | 90.00, 129.67, 90.00 |
Refinement procedure
| Resolution | 48.070 - 2.440 |
| R-factor | 0.18988 |
| Rwork | 0.187 |
| R-free | 0.24333 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mns |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.555 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.070 | 2.590 |
| High resolution limit [Å] | 2.440 | 2.440 |
| Rmerge | 0.048 | 0.598 |
| Number of reflections | 241832 | 109337 |
| <I/σ(I)> | 13.55 | 1.81 |
| Completeness [%] | 98.2 | 96.7 |
| Redundancy | 3 | |
| CC(1/2) | 0.990 | 0.747 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | Sodium Formate, 4.4M |
