4GFY
Design of peptide inhibitors of phospholipase A2: crystal Structure of phospholipase A2 complexed with a designed tetrapeptide Val - Ilu- Ala - Lys at 2.7 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 | 2005-11-05 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 43 |
| Unit cell lengths | 53.035, 53.035, 48.469 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.030 - 2.700 |
| R-factor | 0.22694 |
| Rwork | 0.226 |
| R-free | 0.24785 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fga |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.555 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.200 | 2.730 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 3875 | |
| <I/σ(I)> | 7.4 | 2.6 |
| Completeness [%] | 96.2 | 95 |
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 |
