2RD4
Design of specific inhibitors of Phospholipase A2: Crystal structure of the complex of phospholipase A2 with pentapeptide Leu-Val-Phe-Phe-Ala at 2.9 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 300 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-06-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 41 |
| Unit cell lengths | 65.540, 65.540, 58.551 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.970 |
| R-factor | 0.2576 |
| Rwork | 0.251 |
| R-free | 0.27350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s6b |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| 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] | 20.000 | 3.080 |
| High resolution limit [Å] | 2.970 | 2.970 |
| Number of reflections | 4980 | |
| <I/σ(I)> | 5.5 | 1.7 |
| Completeness [%] | 98.8 | 97.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | calcium chloride, tris, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
