4J2Y
Crystal structure of a plant trypsin inhibitor EcTI in complex with bovine trypsin.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-04 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 73.260, 38.582, 122.817 |
| Unit cell angles | 90.00, 104.19, 90.00 |
Refinement procedure
| Resolution | 19.845 - 2.000 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.25770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1AVW AND 2BZA |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.185 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASES |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.200 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.081 | 0.396 |
| Number of reflections | 21100 | |
| Completeness [%] | 92.1 | 80.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M ammonium sulfate, 0.1 M Tris pH7.5, 30% PEG1500, 0.2 M LiCl, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
