7VM5
Crystal structure of uPA in complex with 4-guanidinobenzoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-05-13 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | H 3 |
| Unit cell lengths | 120.391, 120.391, 42.458 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.780 - 1.970 |
| R-factor | 0.193 |
| Rwork | 0.191 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dva |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.545 |
| 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 | 2.010 |
| High resolution limit [Å] | 1.970 | 1.980 |
| Rmerge | 0.092 | 0.679 |
| Number of reflections | 15913 | 773 |
| <I/σ(I)> | 17.91 | |
| Completeness [%] | 98.7 | |
| Redundancy | 9.4 |
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 |
