2ZDM
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 | 2007-10-22 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 54.000, 54.000, 108.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.930 |
| R-factor | 0.1543 |
| Rwork | 0.151 |
| R-free | 0.23820 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1gi1 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.022 |
| 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 | 1.960 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Number of reflections | 14347 | |
| <I/σ(I)> | 17.3 | 3.4 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 5.5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.1M Imidazole buffer, 0.1M ammonium sulfate, 25% PEG8000, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
