8PUJ
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 | 2022-11-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.8731 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 107.993, 151.985, 45.618 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.020 - 1.700 |
R-factor | 0.173 |
Rwork | 0.172 |
R-free | 0.20190 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 2.029 |
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] | 44.020 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 83219 | 8063 |
<I/σ(I)> | 12.3 | |
Completeness [%] | 99.5 | |
Redundancy | 9.5 | |
CC(1/2) | 0.950 | 0.850 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 277 | 0.2 M potassium nitrate, pH 6.9 20 % (w/v) PEG 3350 |