8OVV
Tagless BtuM in complex with hydroxycobalamin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98435 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 95.982, 95.982, 77.291 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 83.123 - 2.260 |
Rwork | 0.182 |
R-free | 0.20200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.738 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 83.123 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.066 | 1.013 |
Rmeas | 0.093 | 1.433 |
Rpim | 0.066 | 1.013 |
Number of reflections | 17803 | 35 |
<I/σ(I)> | 15.5 | 0.3 |
Completeness [%] | 75.6 | 1.7 |
Redundancy | 1.9 | 1.7 |
CC(1/2) | 0.991 | 0.291 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M Potassium chloride, 0.1 M Sodium citrate pH 5.5, 37 % v/v Pentaerythritol propoxylate (PO/OH). |