8JBS
B12-binding domain from Chloracidobacterium thermophilum MerR family protein, dark state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-25 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 125.218, 125.218, 73.088 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 108.440 - 2.300 |
| R-factor | 0.18791 |
| Rwork | 0.185 |
| R-free | 0.23609 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 2.021 |
| Data reduction software | DIALS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 108.442 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 2.659 | |
| Rmeas | 0.163 | |
| Number of reflections | 29650 | 2912 |
| <I/σ(I)> | 12.5 | 0.62 |
| Completeness [%] | 100.0 | 98.91 |
| Redundancy | 20.6 | 19.5 |
| CC(1/2) | 1.000 | 0.538 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.1M Amino acids, 0.1 M Buffer System 3 (Bicine and Tris) pH 8.5, 50% v/v Precipitant Mix 3 (Glycerol and Poly(ethylene glycol) 4000) |
