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 |