7VM7
Crystal structure of inactive uPA in complex with nafamostat
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NFPSS BEAMLINE BL19U1 |
Synchrotron site | NFPSS |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-06 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | H 3 |
Unit cell lengths | 120.982, 120.982, 42.222 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.190 - 1.870 |
R-factor | 0.196 |
Rwork | 0.193 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dva |
RMSD bond length | 0.010 |
RMSD bond angle | 1.725 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.940 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmerge | 0.066 | 0.418 |
Number of reflections | 19019 | 1882 |
<I/σ(I)> | 37.33 | |
Completeness [%] | 100.0 | |
Redundancy | 10.3 | |
CC(1/2) | 0.996 | 0.941 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 2.0 M ammonium sulfate, 5% PEG 400, 20 mM sodium citrate, pH 4.6 |