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 |