5DO4
Thrombin-RNA aptamer complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2015-07-18 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 0.97857 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 83.663, 139.166, 44.511 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.300 - 1.859 |
R-factor | 0.191 |
Rwork | 0.189 |
R-free | 0.22360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dd2 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.431 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.300 | 1.900 |
High resolution limit [Å] | 1.859 | 1.859 |
Rmerge | 0.139 | 0.417 |
Number of reflections | 40685 | |
<I/σ(I)> | 22.6 | 2.91 |
Completeness [%] | 96.9 | 85.6 |
Redundancy | 5.6 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 5% [w/v] PEG-6000, 2.5% v/v (+/-)-2-Methyl-2,4-pentanediol, 50 mM HEPES |