6HHC
Allosteric Inhibition as a new mode of Action for BAY 1213790, a Neutralizing Antibody Targeting the Activated form of Coagulation Factor XI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-15 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 0.91832 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 61.941, 70.679, 185.893 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 92.950 - 2.700 |
| R-factor | 0.2317 |
| Rwork | 0.227 |
| R-free | 0.31440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gje |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.171 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.860 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 23127 | |
| <I/σ(I)> | 9.41 | |
| Completeness [%] | 99.8 | |
| Redundancy | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.5 | 293 | 20 mM Tris-HCl pH 7.5,75 mM NaCl |
