2B7D
Factor VIIa Inhibitors: Chemical Optimization, Preclinical Pharmacokinetics, Pharmacodynamics, and Efficacy in a Baboon Thrombosis Model
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2002-12-14 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.700, 69.030, 78.190 |
| Unit cell angles | 90.00, 89.49, 90.00 |
Refinement procedure
| Resolution | 7.000 - 2.240 |
| R-factor | 0.25 |
| Rwork | 0.247 |
| R-free | 0.28900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dan |
| RMSD bond length | 0.019 |
| RMSD bond angle | 3.980 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-SIGHT |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.190 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.110 | |
| Number of reflections | 46266 | |
| <I/σ(I)> | 11.3 | |
| Completeness [%] | 99.0 | 97.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 290 | 0.1 M citrate, 16-18 % PEG 5K MME, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 290.0K |
