3UOP
Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.542 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 55.089, 55.089, 154.868 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.040 - 1.690 |
R-factor | 0.1856 |
Rwork | 0.180 |
R-free | 0.22001 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1v2k |
RMSD bond length | 0.013 |
RMSD bond angle | 1.349 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.040 | 1.750 |
High resolution limit [Å] | 1.690 | 1.690 |
Rmerge | 0.086 | 0.282 |
Number of reflections | 28059 | |
<I/σ(I)> | 12.6 | 2.5 |
Completeness [%] | 88.6 | 24 |
Redundancy | 5.6 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 20% PEG8000, 0.1M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |