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 |
