5EG1
Antibacterial peptide ABC transporter McjD with a resolved lipid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-15 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.96861 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 82.980, 109.130, 233.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.610 - 3.420 |
| R-factor | 0.2544 |
| Rwork | 0.254 |
| R-free | 0.27180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pl0 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| Data reduction software | xia2 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.610 | 3.510 |
| High resolution limit [Å] | 3.420 | 3.420 |
| Rmerge | 0.073 | 0.760 |
| Number of reflections | 29066 | |
| <I/σ(I)> | 11.6 | 2.1 |
| Completeness [%] | 99.0 | 98.9 |
| Redundancy | 3.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 100 mM sodium citrate pH 5.5, 45 mM NaCl, 28% PEG 400 and 1% nonyl-glucopyranoside |
