2AEI
Crystal structure of a ternary complex of factor VIIa/tissue factor and 2-[[6-[3-(aminoiminomethyl)phenoxy]-3,5-difluro-4-[(1-methyl-3-phenylpropyl)amino]-2-pyridinyl]oxy]-benzoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-02-27 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.080 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.215, 80.496, 125.936 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.520 |
| R-factor | 0.204 |
| Rwork | 0.199 |
| R-free | 0.29700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1DAN USING SEPARATE REPLACEMENTS FOR EA |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.802 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MERLOT |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.630 |
| High resolution limit [Å] | 2.520 | 2.520 |
| Number of reflections | 21938 | |
| <I/σ(I)> | 12 | |
| Completeness [%] | 88.8 | 90 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | PEG 8000,CACODYLATE, GLYCEROL, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
