9KK4
Crystal Structure of Bovine Pancreatic Trypsin in Complex with Pyridoxine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 VENTURE |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2021-03-12 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.5406 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.045, 57.750, 65.676 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.740 - 2.350 |
| R-factor | 0.20208 |
| Rwork | 0.199 |
| R-free | 0.26006 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6sy3 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.407 |
| Data reduction software | PROTEUM PLUS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.740 | 2.440 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.455 | |
| Rmeas | 0.183 | |
| Number of reflections | 8986 | 922 |
| <I/σ(I)> | 11.2 | 5.4 |
| Completeness [%] | 99.7 | |
| Redundancy | 6.8 |
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% |
