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 |