3BYB
Crystal structure of Textilinin-1, a Kunitz-type serine protease inhibitor from the Australian Common Brown snake venom
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 | 2005-09-19 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 99.918, 99.918, 77.712 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.410 - 1.630 |
| R-factor | 0.19265 |
| Rwork | 0.191 |
| R-free | 0.21799 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.243 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| 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 | 0.075 | 0.360 |
| Number of reflections | 24694 | |
| <I/σ(I)> | 16.9 | |
| Completeness [%] | 99.6 | 98.8 |
| Redundancy | 9.06 | 8.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | 0.1M HEPES, 2% (v/v) PEG 400, 2.0M ammonium sulfate , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
