1YYY
Trypsin inhibitors with rigid tripeptidyl aldehydes
Experimental procedure
| Temperature [K] | 300 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-09 |
| Detector | RIGAKU |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.760, 63.140, 69.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.000 - 2.100 |
| R-factor | 0.142 * |
| Rwork | 0.157 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ppc |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.050 * |
| Data reduction software | R-AXIS (II) |
| Data scaling software | R-AXIS (II) |
| Phasing software | X-PLOR |
| Refinement software | PROFFT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 2.300 | |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.043 | 0.061 |
| Total number of observations | 39107 * | |
| Number of reflections | 13609 | |
| <I/σ(I)> | 15.4 | 2.5 |
| Completeness [%] | 76.0 | 52 |
| Redundancy | 2.9 * | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 * | pH 7.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 40 (mg/ml) | |
| 2 | 1 | drop | benzamidine | 1.0 (M) | |
| 3 | 1 | drop | ammonium sulfate | 1.9 (M) | |
| 4 | 1 | drop | Tris-HCl | 0.1 (M) | |
| 5 | 1 | drop | 0.1 (M) | ||
| 6 | 1 | reservoir | ammonium sulfate | 1.9 (M) | |
| 7 | 1 | reservoir | Tris-HCl | 0.1 (M) | |
| 8 | 1 | reservoir | 0.01 (M) |
