1Y3Y
TRYPSIN INHIBITOR COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-11-22 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 54.852, 54.852, 109.166 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.750 |
| R-factor | 0.1626 |
| Rwork | 0.163 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k1n |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.026 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.790 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.100 | 0.450 |
| Number of reflections | 18963 | |
| <I/σ(I)> | 7.665 | 1.93 |
| Completeness [%] | 97.1 | 94 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | ammonium sulfate, Imidazol, Calcium chloride, benzamidin hydrochloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
