7DZD
Crystal structure of uPA in complex with cleaved camostat
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-15 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.54 |
| Spacegroup name | H 3 |
| Unit cell lengths | 120.317, 120.317, 42.451 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 17.870 - 2.000 |
| R-factor | 0.194 |
| Rwork | 0.192 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nwn |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.442 |
| Data reduction software | APEX |
| Data scaling software | APEX |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.160 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.021 | 0.064 |
| Number of reflections | 15407 | 1520 |
| <I/σ(I)> | 17.61 | |
| Completeness [%] | 96.5 | |
| Redundancy | 1.51 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 2.0M ammonium sulfate, 50mM sodium citrate pH 4.6, 5% PEG 400 |
