1S5S
Porcine trypsin complexed with guanidine-3-propanol inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-06-12 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.342, 53.449, 46.603 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.780 - 1.400 |
| R-factor | 0.148 |
| Rwork | 0.148 |
| R-free | 0.18100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aks |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.920 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.056 * | 0.171 * |
| Number of reflections | 33968 | |
| <I/σ(I)> | 25.0909 | 3.163 |
| Completeness [%] | 89.6 * | 73.5 |
| Redundancy | 7.5 * | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 8 | 4 * | 1.8M MgSO4, 50mM HEPES, 5mM CaCl2, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K, pH 8.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 30 (mg/ml) | |
| 2 | 1 | drop | G3P | 100 (mM) | |
| 3 | 1 | drop | pH8.0 | ||
| 4 | 1 | reservoir | 1.6-1.8 (M) | ||
| 5 | 1 | reservoir | HEPES | 50 (mM) | or Tris |
| 6 | 1 | reservoir | 5 (mM) |
