3UQV
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) | 1.5418 |
Spacegroup name | P 65 |
Unit cell lengths | 84.502, 84.502, 51.430 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.810 - 2.400 |
R-factor | 0.16867 |
Rwork | 0.166 |
R-free | 0.25530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1v2k |
RMSD bond length | 0.015 |
RMSD bond angle | 1.672 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.167 | 0.388 |
Number of reflections | 8312 | |
<I/σ(I)> | 8.7 | 4.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.6 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 30% PEG8000, 0.2M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |