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 |