3I29
Crystal structure of a binary complex between an mutant trypsin inhibitor with bovine trypsin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-08-08 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 123.098, 39.729, 76.601 |
| Unit cell angles | 90.00, 120.00, 90.00 |
Refinement procedure
| Resolution | 9.990 - 2.400 |
| R-factor | 0.219 |
| Rwork | 0.219 |
| R-free | 0.28700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 1AVW (for trypsin) AND 1EYL (for inhibitor) |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 2.400 |
| Rmerge | 0.107 |
| Number of reflections | 12051 |
| <I/σ(I)> | 4.2 |
| Redundancy | 2.87 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
