5Z1C
The crystal structure of uPA in complex with 4-Iodobenzylamine at pH7.4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-01-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | H 3 |
| Unit cell lengths | 120.503, 120.503, 42.719 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.790 - 1.450 |
| R-factor | 0.11911 |
| Rwork | 0.118 |
| R-free | 0.14284 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nwn |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.402 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.048 | 0.882 |
| Number of reflections | 40221 | 3592 |
| <I/σ(I)> | 22.7 | |
| Completeness [%] | 97.9 | |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 50mM sodium citrate (pH 4.6), 2.0M ammonium sulfate supplemented with 5% PEG 400 |
