6YDY
Cationic Trypsin in Complex with a D-Phe-Pro-benzylamine derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | Incoatec IµS |
Temperature [K] | 113 |
Detector technology | IMAGE PLATE |
Collection date | 2020-02-21 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 54.600, 54.600, 108.536 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.730 - 1.450 |
R-factor | 0.1597 |
Rwork | 0.158 |
R-free | 0.18470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mnk |
RMSD bond length | 0.007 |
RMSD bond angle | 0.930 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.349 | 1.540 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmeas | 0.084 | 0.436 |
Number of reflections | 32247 | 4692 |
<I/σ(I)> | 17.81 | 5.07 |
Completeness [%] | 94.8 | 90.6 |
Redundancy | 9.32 | 9.25 |
CC(1/2) | 0.998 | 0.946 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.1 M (NH4)2SO4, 0.1 M imidazole, 0.1% sodium azide, 25% (w/v) PEG8000 |