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 |