8BB0
The surface-exposed lipo-protein of BtuG2 in complex with hydroxycobalamin.
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 | 2021-11-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.110, 101.099, 79.893 |
| Unit cell angles | 90.00, 97.81, 90.00 |
Refinement procedure
| Resolution | 62.400 - 1.500 |
| R-factor | 0.1446 |
| Rwork | 0.143 |
| R-free | 0.17450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6FFV |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.936 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.160 | 7.400 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 123287 | 89902 |
| <I/σ(I)> | 18.5 | |
| Completeness [%] | 99.2 | |
| Redundancy | 8 | |
| CC(1/2) | 0.970 | 0.950 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 298 | 50 mM TRIS pH 7.8, 100 mM NaCl, 20 mM MgCl, 10 mM hydroxycobalamin, 33 % PEG4000 |
