2C5S
Crystal structure of Bacillus anthracis ThiI, a tRNA-modifying enzyme containing the predicted RNA-binding THUMP domain
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00798, 0.97788, 0.97788, 0.95372 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 81.047, 81.047, 140.893 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.910 - 2.500 |
| R-factor | 0.229 |
| Rwork | 0.227 |
| R-free | 0.27800 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.191 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.570 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.075 | 0.570 |
| Number of reflections | 18357 | 1531 |
| <I/σ(I)> | 22.7 | 1.9 |
| Completeness [%] | 96.1 | 82 |
| Redundancy | 8.5 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.8 | pH 7.8 |
