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 |