1Z79
Crystal structure of an RNA duplex containing site specific 2'-amine substitution at a C-A mismatch (at pH 5)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-02-14 |
Detector | RIGAKU RAXIS IV++ |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 43.000, 43.000, 122.000 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 8.080 - 2.550 |
R-factor | 0.217 |
Rwork | 0.217 |
R-free | 0.26200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yrm |
RMSD bond length | 0.005 |
RMSD bond angle | 0.900 |
Data reduction software | CrystalClear ((MSC/RIGAKU)) |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.080 | 0.500 |
Number of reflections | 4904 | |
<I/σ(I)> | 11.65 | 2.86 |
Completeness [%] | 98.6 | 100 |
Redundancy | 14.29 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 273 | MPD, Na cacodylate, spermine, calcium chloride, pH 5.2, VAPOR DIFFUSION, SITTING DROP, temperature 273K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | MPD | ||
2 | 1 | 1 | Na cacodylate | ||
3 | 1 | 1 | spermine | ||
4 | 1 | 1 | calcium chloride | ||
5 | 1 | 1 | H2O | ||
6 | 1 | 2 | MPD | ||
7 | 1 | 2 | Na cacodylate | ||
8 | 1 | 2 | calcium chloride |