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 |