2BD2
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Arg-Phe at pH 5.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 127 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-06-30 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54180 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.195, 57.883, 74.605 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.590 - 1.700 |
| R-factor | 0.17 |
| Rwork | 0.168 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3est |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.593 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.600 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.039 | 0.137 |
| Number of reflections | 24541 | |
| <I/σ(I)> | 22.9 | 7.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 294 | 25MM SODIUM SULPHATE, 25MM SODIUM ACETATE (PH 5.0), 25 MG/ML PPE AND 17.5 MG/ML BCM7, AND THEN SOAKED WITH ARG-PHE (2MG) IN 250MM SODIUM ACETATE (PH 5.0) (5 MICROLITRES) FOR 45 MIN, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
