8PTD
The surface-exposed lipo-protein of BtuG1 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 | 2022-11-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.8731 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 52.471, 147.665, 116.043 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.260 - 1.600 |
| R-factor | 0.1728 |
| Rwork | 0.172 |
| R-free | 0.19170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.844 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.840 | 8.000 |
| High resolution limit [Å] | 1.600 | 1.650 |
| Number of reflections | 62607 | 6157 |
| <I/σ(I)> | 18.4 | |
| Completeness [%] | 99.9 | |
| Redundancy | 8 | |
| CC(1/2) | 0.930 | 0.780 |
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, pH 7.0. |
