2OTH
Crystal structure of a ternary complex of phospholipase A2 with indomethacin and nimesulide at 2.9 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 292 |
Detector technology | IMAGE PLATE |
Collection date | 2007-01-15 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54132 |
Spacegroup name | P 43 |
Unit cell lengths | 52.880, 52.880, 48.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.440 - 2.900 |
R-factor | 0.189 |
Rwork | 0.189 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2arm |
RMSD bond length | 0.009 |
RMSD bond angle | 1.700 |
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] | 17.440 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Number of reflections | 2923 | |
Completeness [%] | 98.2 | 96.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | Ammonium Sulphate, PEG4000, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |