5N0O
Crystal structure of Seleno-OphA-DeltaC18 in complex with SAM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-08-01 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9281 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.567, 100.891, 123.275 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 78.080 - 1.440 |
| R-factor | 0.17142 |
| Rwork | 0.171 |
| R-free | 0.18401 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.370 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | CRANK2 |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.080 | 1.441 |
| High resolution limit [Å] | 1.437 | 1.437 |
| Rmerge | 0.070 | 1.142 |
| Number of reflections | 169405 | |
| <I/σ(I)> | 18.6 | |
| Completeness [%] | 100.0 | 95.9 |
| Redundancy | 11.4 | 11.5 |
| CC(1/2) | 0.999 | 0.751 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.2 M NaCl, 0.1 M Bis-Tris pH 6.0 and 20% PEG 3350 |
