1Y3X
TRYPSIN INHIBITOR COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-07-09 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.250, 69.300, 63.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.700 |
| R-factor | 0.152 |
| Rwork | 0.152 |
| R-free | 0.20400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mts |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.027 |
| Data reduction software | CRYSTAL (CLEAR) |
| Data scaling software | CrystalClear ((MSC/RIGAKU)) |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.058 | 0.229 |
| Number of reflections | 31574 | |
| <I/σ(I)> | 7.4 | 1.1 |
| Completeness [%] | 93.6 | 63.7 |
| Redundancy | 2.72 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | ammonium sulfate, MES, calcium chloride, benzamidinium hydrochloride, pH 6.00, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
