5OFP
Structure of the antibacterial peptide ABC transporter McjD in an apo inward occluded conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 60 |
| Detector technology | CCD |
| Collection date | 2014-05-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 42 2 2 |
| Unit cell lengths | 87.850, 87.850, 351.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.060 - 4.710 |
| R-factor | 0.3143 |
| Rwork | 0.313 |
| R-free | 0.33440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pl0 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.580 | 4.830 |
| High resolution limit [Å] | 4.710 | 4.710 |
| Rmerge | 0.082 | 0.145 |
| Number of reflections | 7675 | 2025 |
| <I/σ(I)> | 9.6 | 1.4 |
| Completeness [%] | 98.4 | 94.4 |
| Redundancy | 3.7 | 3.8 |
| CC(1/2) | 0.990 | 0.650 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 5 mM MgCl2, 24 % PEG400 and 100 mM glycine pH 9.0 |
