4MNY
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK903
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 | 2013-02-05 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.959, 54.457, 71.681 |
| Unit cell angles | 90.00, 98.18, 90.00 |
Refinement procedure
| Resolution | 43.240 - 1.700 |
| R-factor | 0.16799 |
| Rwork | 0.166 |
| R-free | 0.21471 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.277 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.680 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.065 | 0.386 |
| Number of reflections | 56805 | |
| <I/σ(I)> | 10.5 | 2.5 |
| Completeness [%] | 100.0 | 92.5 |
| Redundancy | 3.3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.25 | 291 | 20% PEG4000, 16% glycerol, 0.17 M ammonium sulfate, 0.1 M sodium acetate, pH 4.25, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
