6CTE
77Se-NMR probes the protein environment of selenomethionine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-01-22 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 27.592, 36.552, 48.978 |
| Unit cell angles | 90.00, 100.03, 90.00 |
Refinement procedure
| Resolution | 29.131 - 1.200 |
| R-factor | 0.1529 |
| Rwork | 0.152 |
| R-free | 0.17540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qmt |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.965 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.170 | 1.243 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.029 | 0.194 |
| Number of reflections | 30116 | 2940 |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 283.15 | 49% MPD 20% IPA 25 mM sodium acetate pH 4.7 20 mg/ml protein concentration 25 mM sodium acetate pH 5.5 non-reducing |
