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. |