3E3T
Structure of porcine pancreatic elastase with the magic triangle I3C
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-28 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.096, 57.973, 74.395 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.200 - 1.600 |
| R-factor | 0.157 |
| Rwork | 0.157 |
| R-free | 0.21300 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.024 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | SHELXD |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.200 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.038 | 0.100 |
| Number of reflections | 28897 | |
| <I/σ(I)> | 40.6 | 8.38 |
| Completeness [%] | 98.6 | 91.5 |
| Redundancy | 11.2 | 2.76 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 0.1M HEPES, 0.6M sodium sulfate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
