3IG6
Low molecular weigth human Urokinase type Plasminogen activator 2-[6-(3'-Aminomethyl-biphenyl-3-yloxy)-4-(3-dimethylamino-pyrrolidin-1-yl)-3,5-difluoro-pyridin-2-yloxy]-4-dimethylamino-benzoic acid complex
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] | 100 |
| Detector technology | CCD |
| Collection date | 2003-01-22 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 70.855, 52.294, 72.580 |
| Unit cell angles | 90.00, 90.23, 90.00 |
Refinement procedure
| Resolution | 19.830 - 1.830 |
| R-factor | 0.198 |
| Rwork | 0.197 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lmw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.000 |
| Data reduction software | X-GEN |
| Data scaling software | X-GEN |
| Phasing software | CNX |
| Refinement software | CNX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.940 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Number of reflections | 47497 | |
| <I/σ(I)> | 15.15 | 2.6 |
| Completeness [%] | 98.8 | 99.4 |
| Redundancy | 2.45 | 2.26 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 20.4 g/l, 1 mM ligand in 50 mM Tris pH 7.4, 5 mM NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
