8PTF
The surface-exposed lipo-protein of BtuG2 in complex with cyanocobalamin.
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) | 0.8731 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 52.724, 145.391, 116.382 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.430 - 1.950 |
| R-factor | 0.23749 |
| Rwork | 0.235 |
| R-free | 0.28125 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.527 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.430 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 30854 | 2973 |
| <I/σ(I)> | 14.2 | |
| Completeness [%] | 93.2 | |
| Redundancy | 7.5 | |
| CC(1/2) | 0.900 | 0.820 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.1 M Bis-Tris propane HCl, pH 7.0, 1.4 M sodium malonate |
