4ZKR
The crystal structure of upain-1-W3A in complex with uPA at pH9.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-23 |
| Detector | RAYONIX MX300HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | H 3 |
| Unit cell lengths | 121.122, 121.122, 43.062 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.110 - 1.360 |
| R-factor | 0.208 |
| Rwork | 0.207 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dva |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.243 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.380 |
| High resolution limit [Å] | 1.360 | 1.360 |
| Rmerge | 0.345 | |
| Number of reflections | 46198 | |
| <I/σ(I)> | 22.8 | 1.7 |
| Completeness [%] | 91.3 | 90.5 |
| Redundancy | 4.9 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 50 mM sodium citrate pH 4.6, 2.0 M ammonium sulfate supplemented with 5% PEG400 |
