5FNW
Crystal structure at pH 7.0 of a potato STI-Kunitz bi-functional inhibitor of serine and aspartic proteases in space group p4322 and ph 9.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-24 |
| Detector | ADSC CCD |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 77.220, 77.220, 94.240 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.497 - 2.450 |
| R-factor | 0.211 |
| Rwork | 0.209 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tc2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.205 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.500 | 2.500 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.050 | 0.640 |
| Number of reflections | 10963 | |
| <I/σ(I)> | 38.01 | 5.58 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 18.5 | 19.28 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | CRYSTAL WAS CRYSTALLIZED FROM 15% (W/V) PEG 20000, 0.1 M HEPES PH 7.0, 30 MM GLYCYL-GLYCYL-GLYCINE |
