2DER
Cocrystal structure of an RNA sulfuration enzyme MnmA and tRNA-Glu in the initial tRNA binding state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 30 |
| Detector technology | CCD |
| Collection date | 2004-12-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97927 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 225.389, 175.845, 52.965 |
| Unit cell angles | 90.00, 101.62, 90.00 |
Refinement procedure
| Resolution | 46.750 - 3.100 |
| R-factor | 0.219 |
| Rwork | 0.219 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2det |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.118 | 0.363 |
| Number of reflections | 61680 | |
| <I/σ(I)> | 11.2 | 1.8 |
| Completeness [%] | 89.8 | 41.9 |
| Redundancy | 4.3 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 90mM HEPES-Na buffer (pH 7.5), 40mM ammonium dihydrogen phosphate, 1.8% PEG400, 1.7-1.9M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG400 | ||
| 10 | 1 | 2 | HOH | ||
| 2 | 1 | 1 | HEPES-Na | ||
| 3 | 1 | 1 | ammonium dihydrogen phosphate | ||
| 4 | 1 | 1 | ammonium sulfate | ||
| 5 | 1 | 1 | HOH | ||
| 6 | 1 | 2 | PEG400 | ||
| 7 | 1 | 2 | HEPES-Na | ||
| 8 | 1 | 2 | ammonium dihydrogen phosphate | ||
| 9 | 1 | 2 | ammonium sulfate |
