4FGA
Design of peptide inhibitors of group II phospholipase A2: Crystal structure of the complex of phospholipsae A2 with a designed tripeptide, Ala- Tyr- Lys at 2.3 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 288 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-03-07 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 43 |
| Unit cell lengths | 53.166, 53.166, 48.548 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.170 - 2.300 |
| R-factor | 0.20246 |
| Rwork | 0.200 |
| R-free | 0.24342 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4eix |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.230 |
| Data reduction software | AUTOMAR |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.170 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 5887 | |
| <I/σ(I)> | 8.6 | 2.4 |
| Completeness [%] | 99.3 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | 0.3M AMMONIUM SULPHATE, 30% PEG 4000, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
