6S2U
Structure of the catalytic domain of T. thermophilus Rel in complex with AMP and ppGpp
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-01 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9801 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 120.739, 50.346, 86.057 |
| Unit cell angles | 90.00, 111.00, 90.00 |
Refinement procedure
| Resolution | 56.360 - 2.950 |
| R-factor | 0.216 |
| Rwork | 0.214 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vj7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.170 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | Rosetta |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.360 | 3.020 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.120 | 1.100 |
| Rpim | 0.040 | 0.360 |
| Number of reflections | 6572 | 2399 |
| <I/σ(I)> | 13.8 | |
| Completeness [%] | 91.9 | |
| Redundancy | 10.3 | |
| CC(1/2) | 0.996 | 0.868 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.002 M Zinc chloride 0.1 M Tris 8.0 20 % w/v PEG 6000 |
