2FX6
bovine trypsin complexed with 2-aminobenzamidazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 280 |
Detector technology | IMAGE PLATE |
Collection date | 2003-10-31 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.710, 63.200, 69.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.000 - 1.570 |
R-factor | 0.203 |
Rwork | 0.202 |
R-free | 0.21500 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.017 |
RMSD bond angle | 3.720 |
Data reduction software | CrystalClear ((d*trek)) |
Data scaling software | CrystalClear (D*TREK (MSC/RIGAKU)) |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.000 | 1.650 |
High resolution limit [Å] | 1.570 | 1.570 |
Rmerge | 0.049 | 0.270 |
Number of reflections | 39770 | |
<I/σ(I)> | 1.8 | |
Completeness [%] | 99.4 | 99.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 298 | benzamidine, magnesium sulfate, CaCl2, 0.1 M Tris-HCl, pH 8.1-8.2, VAPOR DIFFUSION, temperature 298K |