2QUE
Saturation of substrate-binding site using two natural ligands: Crystal structure of a ternary complex of phospholipase A2 with anisic acid and ajmaline at 2.25 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 291 |
Detector technology | IMAGE PLATE |
Collection date | 2007-07-31 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54132 |
Spacegroup name | P 43 |
Unit cell lengths | 53.105, 53.105, 48.393 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 16.950 - 2.250 |
R-factor | 0.198 |
Rwork | 0.198 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pyc |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
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 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Number of reflections | 5959 | |
Completeness [%] | 91.9 | 81.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 0.2M Ammonium sulphate, 0.2M ammonium acetate, 30% PEG 4000, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |