6QGY
Crystal structure of E.coli BamA beta-barrel in complex with nanobody B12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.99998 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 99.709, 86.664, 125.027 |
| Unit cell angles | 90.00, 105.26, 90.00 |
Refinement procedure
| Resolution | 48.484 - 2.509 |
| R-factor | 0.2235 |
| Rwork | 0.222 |
| R-free | 0.24420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4n75 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.591 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.484 | 2.570 |
| High resolution limit [Å] | 2.509 | 2.510 |
| Rmerge | 0.073 | 0.973 |
| Rpim | 0.051 | 0.699 |
| Number of reflections | 69491 | 3901 |
| <I/σ(I)> | 11.9 | 1.2 |
| Completeness [%] | 98.5 | 86.3 |
| Redundancy | 5.8 | 5.3 |
| CC(1/2) | 0.998 | 0.621 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 32% PEG 400, 0.2 M ammonium phosphate, 0.1 M ammonium sulfate, 0.1 M sodium citrate pH 4.5 |
