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). |
