6ZQ2
Cationic trypsin in complex with a derivative of benzamidine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2020-06-27 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.9184 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 54.803, 54.803, 108.558 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 23.730 - 1.290 |
R-factor | 0.1283 |
Rwork | 0.127 |
R-free | 0.14460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mnk |
RMSD bond length | 0.005 |
RMSD bond angle | 0.937 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.500 | 1.370 |
High resolution limit [Å] | 1.290 | 1.290 |
Number of reflections | 48302 | 7699 |
<I/σ(I)> | 26.12 | 3.68 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 9.7 | 9.4 |
CC(1/2) | 1.000 | 0.930 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.1% (NH4)2SO4 0.1% imidazole 22% PEG 8000 0.1% NaN3 |