3H1X
Simultaneous inhibition of anti-coagulation and inflammation: Crystal structure of phospholipase A2 complexed with indomethacin at 1.4 A resolution reveals the presence of the new common ligand binding site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2006-10-10 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5414 |
Spacegroup name | P 43 |
Unit cell lengths | 51.660, 51.660, 48.003 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.990 - 1.400 |
R-factor | 0.19042 |
Rwork | 0.190 |
R-free | 0.20661 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fb2 |
RMSD bond length | 0.013 |
RMSD bond angle | 2.273 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.990 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 24939 | |
<I/σ(I)> | 19.5 | 2.9 |
Completeness [%] | 99.2 | 100 |
Redundancy | 19.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.3M AMMONIUM SULPHATE, 30% PEG 4000 , pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |