5OFR
Structure of the antibacterial peptide ABC transporter McjD in a high energy outward occluded intermediate state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I23 |
| Synchrotron site | Diamond |
| Beamline | I23 |
| Temperature [K] | 60 |
| Detector technology | PIXEL |
| Collection date | 2016-10-19 |
| Detector | DECTRIS PILATUS 12M |
| Wavelength(s) | 2.26 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 235.290, 105.040, 117.370 |
| Unit cell angles | 90.00, 105.55, 90.00 |
Refinement procedure
| Resolution | 95.300 - 3.400 |
| R-factor | 0.257 |
| Rwork | 0.257 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pl0 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 95.300 | 3.460 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.055 | 0.635 |
| Number of reflections | 22352 | 437 |
| <I/σ(I)> | 18.1 | 2.6 |
| Completeness [%] | 94.2 | 87.2 |
| Redundancy | 6.4 | 6.5 |
| CC(1/2) | 0.990 | 0.860 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | 10% PEG 4000, 0.1 M ammonium sulphate, 100 mM HEPES pH 7.5 and 22% glycerol |
