2BB4
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Asp-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 | 2005-06-29 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.884, 57.582, 74.142 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.500 - 1.600 |
| R-factor | 0.174 |
| Rwork | 0.173 |
| R-free | 0.19700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3est |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.481 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.500 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.029 | 0.061 |
| Number of reflections | 28611 | |
| <I/σ(I)> | 30.7 | 15.2 |
| Completeness [%] | 99.0 | 93.9 |
| Redundancy | 3.3 | 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, 17.5 MG/ML BETA-CASOMORPHIN-7, AND THEN SOAKED WITH ASP-PHE (2MG) IN 250MM SODIUM ACETATE (PH 5.0) (5 MICROLITRES) FOR 30 MIN, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
