3D65
Crystal structure of Textilinin-1, a Kunitz-type serine protease inhibitor from the Australian Common Brown snake venom, in complex with trypsin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-08-16 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 79.838, 79.838, 107.394 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.420 - 1.640 |
| R-factor | 0.21438 |
| Rwork | 0.213 |
| R-free | 0.24548 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ptn |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.669 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.690 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.055 | 0.494 |
| Number of reflections | 49994 | |
| <I/σ(I)> | 22.2 | 11.47 |
| Completeness [%] | 97.1 | 90.7 |
| Redundancy | 3.85 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1M HEPES-Na, 1.4M tri-sodium citrate dehydrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
