3VEQ
A binary complex betwwen bovine pancreatic trypsin and a engineered mutant trypsin inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-09-11 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 122.997, 39.826, 76.783 |
Unit cell angles | 90.00, 119.65, 90.00 |
Refinement procedure
Resolution | 19.910 - 2.250 |
R-factor | 0.218 |
Rwork | 0.218 |
R-free | 0.27400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qyi |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | AUTOMAR |
Phasing software | MOLREP |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.000 |
High resolution limit [Å] | 2.250 |
Number of reflections | 14218 |
Completeness [%] | 90.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | VAPOR DIFFUSION, HANGING DROP, temperature 293K |