7WA0
Crystal structure of Bovine Pancreatic Trypsin in complex with Benzamidine at Room Temperature
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2021-06-29 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.580, 58.310, 67.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.080 - 1.770 |
| R-factor | 0.13788 |
| Rwork | 0.135 |
| R-free | 0.19901 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s0r |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.772 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmeas | 0.197 | 1.494 |
| Number of reflections | 21236 | 3432 |
| <I/σ(I)> | 10.03 | 2.36 |
| Completeness [%] | 98.3 | 98.4 |
| Redundancy | 5.15 | 5.11 |
| CC(1/2) | 0.990 | 0.499 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 100mM Tris-HCl, 30 %(w/v) PEG 3350 |
