1T37
Design of specific inhibitors of phospholipase A2: Crystal structure of the complex formed between group I phospholipase A2 and a designed pentapeptide Leu-Ala-Ile-Tyr-Ser at 2.6A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 2003-06-04 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 |
Unit cell lengths | 42.624, 42.624, 65.203 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.360 - 2.600 |
R-factor | 0.191 |
Rwork | 0.191 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1LFF |
RMSD bond length | 0.007 |
RMSD bond angle | 1.600 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.650 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 3626 | |
<I/σ(I)> | 6.8 | 2 |
Completeness [%] | 100.0 | 90.1 |
Redundancy | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 10mM Sodium phosphate buffer, 35% Ethanol, 2mM Calcium chloride, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |