2ZDK
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 | 2007-10-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 54.600, 54.600, 108.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.670 |
| R-factor | 0.134 |
| Rwork | 0.134 |
| R-free | 0.19300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gi1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.028 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.700 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Number of reflections | 22193 | |
| <I/σ(I)> | 31.7 | 2.9 |
| Completeness [%] | 98.7 | 83.8 |
| Redundancy | 6.2 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.1M Imidazole buffer, 0.1M ammonium sulfate, 25% PEG 8000, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
