5FZY
CRYSTAL STRUCTURE OF N19D POTATO STI-KUNITZ BI-FUNCTIONAL INHIBITOR OF SERINE AND ASPARTIC PROTEASES IN SPACE GROUP C2221 AND PH 3.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-01-17 |
| Detector | MARMOSAIC 325 mm CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 102.950, 114.240, 98.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.897 - 2.470 |
| R-factor | 0.2277 |
| Rwork | 0.225 |
| R-free | 0.27420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fnw |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.388 |
| 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] | 38.420 | 2.570 |
| High resolution limit [Å] | 2.470 | 2.470 |
| Rmerge | 0.050 | 0.640 |
| Number of reflections | 21238 | |
| <I/σ(I)> | 28.06 | 3.24 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 8.59 | 8.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 3.5 | 20% (W/V) PEG 8000, 0.1 M HEPES PH 7.5, 0.1 M GLYCINE |
