3V13
Bovine trypsin variant X(tripleGlu217Phe227) 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 65 |
Unit cell lengths | 81.813, 81.813, 63.865 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 70.890 - 1.630 |
R-factor | 0.14784 |
Rwork | 0.146 |
R-free | 0.17539 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1v2k |
RMSD bond length | 0.016 |
RMSD bond angle | 1.489 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 70.890 |
High resolution limit [Å] | 1.630 |
Rmerge | 0.118 |
Number of reflections | 30439 |
<I/σ(I)> | 10.6 |
Completeness [%] | 100.0 |
Redundancy | 8.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 20% PEG8000, 0.2M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |