4YHN
Dabigatran Reversal Agent
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-08 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.91 |
| Spacegroup name | P 1 |
| Unit cell lengths | 55.621, 56.142, 78.526 |
| Unit cell angles | 88.87, 84.87, 65.67 |
Refinement procedure
| Resolution | 21.220 - 2.310 |
| R-factor | 0.1841 |
| Rwork | 0.182 |
| R-free | 0.22020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c1e |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | BUSTER-TNT |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.980 | 2.810 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Rmerge | 0.080 | 0.380 |
| Number of reflections | 33587 | |
| <I/σ(I)> | 10 | 2.7 |
| Completeness [%] | 89.4 | 89.4 |
| Redundancy | 1.7 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM PCB buffer (pH 6) and 25% PEG 1500 |
