1HJ8
1.00 AA Trypsin from Atlantic Salmon
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 72.630, 82.770, 30.920 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.000 |
| R-factor | 0.118 |
| R-free | 0.14910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bit |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.034 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.050 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.049 * | 0.232 * |
| Total number of observations | 174662 * | |
| Number of reflections | 76713 | |
| <I/σ(I)> | 8.2 | 3.2 |
| Completeness [%] | 76.5 | 53.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.8 | 310 * | pH 5.80 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | benzamidine | 60 (mM) | |
| 3 | 1 | reservoir | ammonium sulfate | 0.7-0.8 (M) | |
| 4 | 1 | reservoir | citrate | 0.05 (M) | pH5.8 |
