6SY3
Cationic Trypsin in Complex with a D-DiPhe-Pro-pyridine derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.485, 56.535, 66.585 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.800 - 0.950 |
R-factor | 0.1237 |
Rwork | 0.123 |
R-free | 0.13380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mnk |
RMSD bond length | 0.005 |
RMSD bond angle | 0.944 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.096 | 1.010 |
High resolution limit [Å] | 0.950 | 0.950 |
Rmeas | 0.043 | 0.580 |
Number of reflections | 127390 | 19451 |
<I/σ(I)> | 16.04 | 1.77 |
Completeness [%] | 98.0 | |
Redundancy | 4.11 | |
CC(1/2) | 0.999 | 0.740 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M (NH4)2SO4, 0.1 M imidazole, 0.1% (w/v) sodium azide, 25-27% (w/v) PEG8000 |