1Y6O
Crystal structure of disulfide engineered porcine pancreatic phospholipase A2 to group-X isozyme in complex with inhibitor MJ33 and phosphate ions
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-10-22 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.534, 85.921, 38.554 |
| Unit cell angles | 90.00, 94.76, 90.00 |
Refinement procedure
| Resolution | 28.640 - 2.000 |
| R-factor | 0.196 |
| Rwork | 0.196 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fxf |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.800 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.600 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.061 | 0.316 |
| Number of reflections | 14222 | |
| <I/σ(I)> | 17 | 2.5 |
| Completeness [%] | 83.9 | 83.3 |
| Redundancy | 2.3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | Potassium phosphate, PEG 8000, , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
