6T0P
Cationic Trypsin in Complex with a D-Phe-Pro-2-aminopyridine derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-18 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.568, 56.684, 66.647 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.310 - 1.190 |
R-factor | 0.1239 |
Rwork | 0.123 |
R-free | 0.13750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mnk |
RMSD bond length | 0.006 |
RMSD bond angle | 0.908 |
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] | 43.179 | 1.260 |
High resolution limit [Å] | 1.188 | 1.190 |
Rmeas | 0.058 | 0.542 |
Number of reflections | 66940 | 10620 |
<I/σ(I)> | 14.98 | 2.76 |
Completeness [%] | 99.6 | |
Redundancy | 5.71 | |
CC(1/2) | 0.999 | 0.858 |
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% (w/v) PEG8000 |