6U18
Directed evolution of a biosensor selective for the macrolide antibiotic clarithromycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2019-03-06 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.5419 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.897, 53.161, 158.815 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.140 - 2.000 |
| R-factor | 0.2029 |
| Rwork | 0.202 |
| R-free | 0.22070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3g56 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.614 |
| Data reduction software | CrysalisPro (40-64.40a) |
| Data scaling software | Aimless |
| Phasing software | PHASER (Phenix) |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.140 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.048 | 0.292 |
| Rmeas | 0.052 | 0.321 |
| Rpim | 0.021 | 0.132 |
| Number of reflections | 25434 | 1883 |
| <I/σ(I)> | 22.8 | 5.3 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.1 | 5.7 |
| CC(1/2) | 0.999 | 0.959 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 10% PEG3350, 0.1 M ammonium citrate dibasic |
