3TGK
TRYPSINOGEN MUTANT D194N AND DELETION OF ILE 16-VAL 17 COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 92.580, 92.580, 62.030 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.700 |
| R-factor | 0.184 |
| Rwork | 0.184 |
| R-free | 0.21800 |
| Structure solution method | OTHER |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.057 * | |
| Total number of observations | 181142 * | |
| Number of reflections | 32654 | |
| <I/σ(I)> | 10 | |
| Completeness [%] | 95.8 | 94.2 |
| Redundancy | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.5 | 0.2 M LISO4, 0.1 M TRIS, pH 8.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10-15 (mg/ml) | |
| 2 | 1 | drop | 1 (mM) | ||
| 3 | 1 | drop | 10 (mM) | ||
| 4 | 1 | drop | BPTI | ||
| 5 | 1 | reservoir | PEG3350 | 24 (%) | |
| 6 | 1 | reservoir | 0.2 (M) | ||
| 7 | 1 | reservoir | Tris | 0.1 (M) |
