1YLS
Crystal structure of selenium-modified Diels-Alder ribozyme complexed with the product of the reaction between N-pentylmaleimide and covalently attached 9-hydroxymethylanthracene
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-03-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.873, 43.269, 79.928 |
| Unit cell angles | 90.00, 106.19, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.000 |
| R-factor | 0.21006 |
| Rwork | 0.209 |
| R-free | 0.23429 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.538 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.1.9999) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.084 | 0.520 |
| Number of reflections | 10709 | |
| <I/σ(I)> | 11.2 | 2.6 |
| Completeness [%] | 99.3 | 98.2 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | PEG400, 2-methyl-2,4-pentadiol, sodium HEPES, magnesim chloride, sodium chloride, rubidium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG400 | ||
| 10 | 1 | 2 | H2O | ||
| 2 | 1 | 1 | sodium HEPES | ||
| 3 | 1 | 1 | H2O | ||
| 4 | 1 | 2 | PEG400 | ||
| 5 | 1 | 2 | sodium HEPES | ||
| 6 | 1 | 2 | 2-methyl-2,4-pentadiol | ||
| 7 | 1 | 2 | magnesim chloride | ||
| 8 | 1 | 2 | sodium chloride | ||
| 9 | 1 | 2 | rubidium chloride |
