6DWR
Trypsin serine protease modified with the protease inhibitor cyanobenzylsulfonylfluoride
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-17 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 54.614, 54.614, 106.267 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.210 - 1.319 |
| R-factor | 0.1507 |
| Rwork | 0.149 |
| R-free | 0.18680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i8g |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.057 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.210 | 1.340 |
| High resolution limit [Å] | 1.319 | 1.319 |
| Number of reflections | 44011 | 2070 |
| <I/σ(I)> | 17.8 | |
| Completeness [%] | 99.8 | 96.3 |
| Redundancy | 9.2 | 6.1 |
| CC(1/2) | 0.999 | 0.441 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 22% PEG8000, 0.225 M ammonium sulfate, 0.1 M Hepes (pH 7.5), 10% isopropanol |
