5JYX
Crystal structure of the covalent thioimide intermediate of the archaeosine synthase QueF-Like
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-05-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97607 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 215.325, 126.779, 65.083 |
| Unit cell angles | 90.00, 102.58, 90.00 |
Refinement procedure
| Resolution | 108.560 - 2.740 |
| R-factor | 0.1752 |
| Rwork | 0.171 |
| R-free | 0.25880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.149 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.000 | 2.800 |
| High resolution limit [Å] | 2.740 | 2.750 |
| Rmerge | 0.060 | 0.597 |
| Number of reflections | 43893 | |
| <I/σ(I)> | 25.5 | 3 |
| Completeness [%] | 98.7 | 98.4 |
| Redundancy | 7.6 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 66 uM preQ0, 17-19% PEG3350, 0.15 M potassium thiocyanate, and 0.05% sodium azide. |
