8KDU
Crystal structure of trypsin with its substrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | BRUKER D8 QUEST |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-10 |
Detector | Bruker PHOTON II |
Wavelength(s) | 1.6406 |
Spacegroup name | H 3 2 |
Unit cell lengths | 131.116, 131.116, 71.424 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 16.830 - 2.300 |
R-factor | 0.14833 |
Rwork | 0.146 |
R-free | 0.19782 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6sy3 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.578 |
Data reduction software | PROTEUM PLUS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 16.830 | 2.300 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.096 | 0.249 |
Number of reflections | 10553 | 1083 |
<I/σ(I)> | 19.2 | 11.2 |
Completeness [%] | 99.7 | 100 |
Redundancy | 5.6 | 5.5 |
CC(1/2) | 0.990 | 0.950 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 291 | 0.1 M HEPES (pH=7.8), 16% PEG 3350, and 0.1-0.4 M Li2SO4 |