4MNV
Crystal structure of bicyclic peptide UK729 bound as an acyl-enzyme intermediate to urokinase-type plasminogen activator (uPA)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-03-18 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.310, 54.060, 79.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.730 - 1.800 |
R-factor | 0.19011 |
Rwork | 0.189 |
R-free | 0.21622 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.245 |
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] | 44.730 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.187 | 0.592 |
Number of reflections | 20356 | |
<I/σ(I)> | 5.2 | 2.9 |
Completeness [%] | 97.8 | 95.6 |
Redundancy | 4 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.25 | 291 | 21% PEG4000, 16% glycerol, 0.17 M ammonium sulfate, 0.1 M sodium acetate, pH 4.25, VAPOR DIFFUSION, HANGING DROP, temperature 291K |