9QPM
BtuJ1 (BT_1491) bound to cyanocobalamin
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 | 2020-10-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 42.590, 52.320, 112.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.330 - 1.400 |
| R-factor | 0.1753 |
| Rwork | 0.174 |
| R-free | 0.19850 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.254 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.330 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 50420 | 2415 |
| <I/σ(I)> | 20.5 | |
| Completeness [%] | 99.8 | |
| Redundancy | 30.2 | |
| CC(1/2) | 1.000 | 0.550 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Index D4 0.1 M citric acid, pH 3.5 25% PEG3350 |
