2BDC
Porcine pancreatic elastase complexed with Asn-Pro-Ile 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 | 2005-04-26 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.145, 57.874, 74.529 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.580 - 1.800 |
| R-factor | 0.179 |
| Rwork | 0.177 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3est |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.286 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.580 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.030 | 0.061 |
| Number of reflections | 19783 | |
| <I/σ(I)> | 34.6 | 23.2 |
| Completeness [%] | 95.8 | 93.1 |
| Redundancy | 4.5 | 4.5 |
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 NPI, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
