6FMH
Crystal structure of the membrane attack complex assembly inhibitor BGA71 from Lyme disease agent Borreliella bavariensis (Native data)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 31 |
| Unit cell lengths | 137.060, 137.060, 56.410 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 68.530 - 2.800 |
| R-factor | 0.191 |
| Rwork | 0.190 |
| R-free | 0.21610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6fl0 |
| RMSD bond length | 0.552 |
| RMSD bond angle | 2.725 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.530 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.113 | 0.320 |
| Number of reflections | 28251 | 3997 |
| <I/σ(I)> | 7.3 | 2.7 |
| Completeness [%] | 96.9 | 94.2 |
| Redundancy | 2.9 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 294 | 26% PEG 3350, 100 mM Tris, 200 mM calcium chloride |
