5NBG
Structure of the cytoplasmic domain I of OutF in the D. dadantii type II secretion system
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-30 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.972422 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 116.175, 116.175, 47.998 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 82.150 - 2.150 |
| R-factor | 0.21518 |
| Rwork | 0.210 |
| R-free | 0.26495 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c1q |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.665 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.440 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.062 | 0.024 |
| Rpim | 0.037 | 0.016 |
| Number of reflections | 18300 | 1764 |
| <I/σ(I)> | 1.35 | |
| Completeness [%] | 99.2 | 99.8 |
| Redundancy | 5.5 | 5.9 |
| CC(1/2) | 0.999 | 0.668 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 100mM sodium cacodyl ate pH 6.5, 200mM Li2SO4 and 30% PEG-400 |
