2DET
Cocrystal structure of an RNA sulfuration enzyme MnmA and tRNA-Glu in the pre-reaction state
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97904, 0.97931, 0.9760, 0.9820 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 101.537, 108.015, 211.239 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.480 - 3.400 |
| R-factor | 0.263 |
| Rwork | 0.263 |
| R-free | 0.30500 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.520 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.053 | 0.281 |
| Number of reflections | 28072 | |
| <I/σ(I)> | 34.4 | 4 |
| Completeness [%] | 96.8 | 97 |
| Redundancy | 10 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 100mM HEPES-Na buffer (pH 7.5), 1.3-1.5M lithium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 100mM HEPES-Na buffer (pH 7.5), 1.3-1.5M lithium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | HEPES-Na | ||
| 2 | 1 | 1 | lithium sulfate | ||
| 3 | 1 | 2 | HEPES-Na | ||
| 4 | 1 | 2 | lithium sulfate |
