3DD2
Crystal structure of an RNA aptamer bound to human thrombin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 98 |
Detector technology | IMAGE PLATE |
Collection date | 2002-04-12 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 83.766, 134.017, 44.033 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.350 - 1.900 |
Rwork | 0.204 |
R-free | 0.25400 |
Starting model (for MR) | 1ppb |
RMSD bond length | 0.011 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 37211 | |
Completeness [%] | 93.2 | 70 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | PEG 8000, Magnesium Acetate, Sodium Cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | PEG 8000 | ||
2 | 1 | 1 | Magnesium Acetate | ||
3 | 1 | 1 | Sodium Cacodylate | ||
4 | 1 | 2 | PEG 8000 | ||
5 | 1 | 2 | Magnesium Acetate | ||
6 | 1 | 2 | Sodium Cacodylate |