6YIW
Trypsin inhibitor in complex with bovine trypsin
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 | 2019-06-29 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.258, 58.156, 66.863 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.130 - 0.970 |
R-factor | 0.1308 |
Rwork | 0.130 |
R-free | 0.14210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mnk |
RMSD bond length | 0.006 |
RMSD bond angle | 0.975 |
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] | 50.000 | 1.030 |
High resolution limit [Å] | 0.970 | 0.970 |
Number of reflections | 125036 | 19736 |
<I/σ(I)> | 12.02 | 2.23 |
Completeness [%] | 99.5 | 98.1 |
Redundancy | 4.8 | 4.2 |
CC(1/2) | 0.997 | 0.816 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | ammonium sulfat, PEG 8000, ethylene glycol, HEPES |