8XNJ
Crystal structure of trypsin in-complex with arginine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-10 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.101, 58.152, 66.288 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.810 - 2.400 |
| R-factor | 0.19565 |
| Rwork | 0.192 |
| R-free | 0.27490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6sy3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.475 |
| Data reduction software | PROTEUM PLUS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.810 | 2.400 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.708 | |
| Rmeas | 0.348 | 0.896 |
| Number of reflections | 8097 | 852 |
| <I/σ(I)> | 8.5 | 4 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 5.3 | 4.9 |
| CC(1/2) | 0.960 | 0.990 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | 0.1 M HEPES (pH = 7.8), 16% PEG 3350, and 0.1-0.4 M Li2SO4 |
