2PWS
Crystal structure of the complex formed between phospholipase A2 and 2-(4-isobutyl-phenyl)-propionic acid at 2.2 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 | 2007-04-22 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54132 |
Spacegroup name | P 43 |
Unit cell lengths | 53.169, 53.169, 48.513 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.450 - 2.210 |
R-factor | 0.18249 |
Rwork | 0.180 |
R-free | 0.21539 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sv3 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.905 |
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] | 53.450 | 2.290 |
High resolution limit [Å] | 2.210 | 2.210 |
Number of reflections | 6488 | |
Completeness [%] | 99.2 | 93.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 298 | Ammonium Sulphate, PEG 4000, pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 298K |