4OS1
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK601 (bicyclic 1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-10 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.402, 53.728, 84.995 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.650 - 2.200 |
| R-factor | 0.17714 |
| Rwork | 0.175 |
| R-free | 0.22688 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.185 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.410 | 45.420 | 2.320 |
| High resolution limit [Å] | 2.200 | 6.960 | 2.200 |
| Rmerge | 0.049 | 0.037 | 0.086 |
| Number of reflections | 12754 | ||
| <I/σ(I)> | 22.3 | 28 | 15.4 |
| Completeness [%] | 100.0 | 99.6 | 100 |
| Redundancy | 4.6 | 3.9 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291 | 21% PEG4000, 15% glycerol, 0.17 M ammonium sulfate, 0.1 M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
