5VOF
DesGla-XaS195A Bound to Aptamer 11F7t and Rivaroxaban
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-12-13 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 55.744, 164.275, 124.521 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.050 - 2.250 |
| R-factor | 0.22259 |
| Rwork | 0.220 |
| R-free | 0.25330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2y5g |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.903 |
| Data reduction software | DENZO |
| Data scaling software | HKL-3000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.050 | 2.254 |
| High resolution limit [Å] | 2.250 | 2.233 |
| Rmerge | 0.121 | 1.619 |
| Number of reflections | 27265 | 2596 |
| <I/σ(I)> | 12.25 | |
| Completeness [%] | 99.3 | |
| Redundancy | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.1 M Bicine, 0.1 M Tris base, 0.1 M Carboxylic acids, 10% PEG 20,000, 20% PEG 500 MME |
