1UTP
Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 54.600, 54.600, 107.100 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 8.000 - 1.300 |
R-factor | 0.1413 |
R-free | 0.18300 |
Structure solution method | OTHER |
RMSD bond length | 0.011 |
RMSD bond angle | 0.028 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 8.000 | |
High resolution limit [Å] | 1.300 | |
Rmerge | 0.059 | 0.161 |
Number of reflections | 41821 | |
<I/σ(I)> | 5.1 | 1.4 |
Completeness [%] | 91.5 | 87.5 |
Redundancy | 15.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | pH 8.00 |