6T0M
Cationic Trypsin in Complex with a D-Phe-Pro-diaminopyridine 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 |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.454, 56.756, 66.691 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.220 - 1.510 |
R-factor | 0.1494 |
Rwork | 0.148 |
R-free | 0.17090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mnk |
RMSD bond length | 0.007 |
RMSD bond angle | 0.935 |
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] | 43.223 | 1.600 |
High resolution limit [Å] | 1.507 | 1.510 |
Rmeas | 0.060 | 0.537 |
Number of reflections | 33113 | 5172 |
<I/σ(I)> | 17.54 | 3.12 |
Completeness [%] | 99.4 | |
Redundancy | 5.75 | |
CC(1/2) | 0.999 | 0.858 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M (NH4)2SO4, 0.1 M imidazole, 0.1% (w/v) sodium azide, 25-27% (w/v) PEG8000 |