7WBA
Crystal structure of Bovine Pancreatic Trypsin in complex with Tryptamine 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 | 2021-06-22 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.610, 58.140, 67.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.010 - 1.450 |
| R-factor | 0.13665 |
| Rwork | 0.135 |
| R-free | 0.17347 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s0r |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.817 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.540 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmeas | 0.145 | 1.331 |
| Number of reflections | 37261 | 6055 |
| <I/σ(I)> | 9.22 | 2.14 |
| Completeness [%] | 99.2 | 96.4 |
| Redundancy | 3.78 | 3.81 |
| CC(1/2) | 0.992 | 0.501 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 100mM Tris-HCl, 30% (w/v) PEG 3350 |
