4IC0
Crystal Structure of PAI-1 in Complex with Gallate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Detector technology | CCD |
| Collection date | 2011-10-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 |
| Unit cell lengths | 65.280, 74.990, 103.873 |
| Unit cell angles | 90.91, 93.29, 115.82 |
Refinement procedure
| Resolution | 38.250 - 2.320 |
| R-factor | 0.20484 |
| Rwork | 0.202 |
| R-free | 0.25751 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.002 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.300 |
| Number of reflections | 68844 |
| Completeness [%] | 95.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 293 | ammonium sulfate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
