2ZFT
Exploring trypsin S3 pocket
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 113 |
Detector technology | IMAGE PLATE |
Collection date | 2007-12-19 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 54.600, 54.600, 108.500 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 10.000 - 1.760 |
R-factor | 0.1597 |
Rwork | 0.154 |
R-free | 0.23070 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2zdk |
RMSD bond length | 0.007 |
RMSD bond angle | 0.025 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.790 |
High resolution limit [Å] | 1.760 | 1.760 |
Number of reflections | 19216 | |
<I/σ(I)> | 21.6 | 2.3 |
Completeness [%] | 99.6 | 96.3 |
Redundancy | 5.8 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 0.1M Imidazole buffer, 0.1M ammonium sulfate, 30% PEG8000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |