2GNS
Design of specific peptide inhibitors of phospholipase A2: Crystal structure of the complex formed between a group II phospholipase A2 and a designed pentapeptide Ala- Leu- Val- 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 | 2006-03-22 |
Detector | MARRESEARCH |
Spacegroup name | P 43 |
Unit cell lengths | 53.140, 53.140, 48.530 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.790 - 2.300 |
R-factor | 0.21 |
Rwork | 0.197 |
R-free | 0.21200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1FB2.pdb |
RMSD bond length | 0.009 |
RMSD bond angle | 2.200 |
Data reduction software | AUTOMAR |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 5989 | |
Completeness [%] | 97.7 | 94.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.2 | 298 | 0.2M ammonium sulphate, 30% PEG 4000, pH 7.2, VAPOR DIFFUSION, temperature 298K |