4O1Y
Crystal structure of Porcine Pancreatic Phospholipase A2 in complex with 1-Naphthaleneacetic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-04-14 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 68.360, 68.360, 70.120 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 12.920 - 2.500 |
| R-factor | 0.18791 |
| Rwork | 0.185 |
| R-free | 0.24518 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p2p |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.870 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 12.920 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.079 | 0.079 |
| Number of reflections | 6377 | |
| <I/σ(I)> | 16.9 | 0.03 |
| Completeness [%] | 97.5 | 97.55 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 294 | 15% MPD, 0.05M Tris Maliate, 5mM Calcium Chloride , pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
