6YIT
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 | 2019-01-26 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 54.611, 54.611, 107.547 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.290 - 1.250 |
R-factor | 0.141 |
Rwork | 0.140 |
R-free | 0.16320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mnk |
RMSD bond length | 0.006 |
RMSD bond angle | 0.954 |
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 | 1.330 |
High resolution limit [Å] | 1.250 | 1.250 |
Number of reflections | 52150 | 8335 |
<I/σ(I)> | 16.62 | |
Completeness [%] | 1.0 | |
Redundancy | 6.5 | |
CC(1/2) | 0.990 | 0.840 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | ammonium sulfat, PEG 8000, ethylene glycol, HEPES |