2OUB
Crystal structure of the complex formed between phospholipase A2 and atenolol at 2.75 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 | 2007-01-10 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54132 |
Spacegroup name | P 43 |
Unit cell lengths | 53.000, 53.000, 48.520 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.840 - 2.750 |
R-factor | 0.19 |
Rwork | 0.190 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2arm |
RMSD bond length | 0.009 |
RMSD bond angle | 1.800 |
Data reduction software | DENZO |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | AMoRE |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.840 | 2.800 |
High resolution limit [Å] | 2.750 | 2.750 |
Number of reflections | 3557 | |
Completeness [%] | 99.0 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | Ammonium sulphate, PEG 4000, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |