9KK5
Crystal Structure of Bovine Pancreatic Trypsin in Complex with Pyridoxal
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 VENTURE |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2023-10-11 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.5406 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.559, 58.123, 65.626 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.990 - 2.000 |
| R-factor | 0.17105 |
| Rwork | 0.168 |
| R-free | 0.23196 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6sy3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.518 |
| Data reduction software | PROTEUM PLUS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.990 | 2.000 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.088 | 0.368 |
| Number of reflections | 14645 | 1062 |
| <I/σ(I)> | 14.8 | 3 |
| Completeness [%] | 99.9 | |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES (pH =7.5), 0.1-0.4 M Li2SO4, and PEG 16% |
