2B01
Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurochenodeoxycholate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2004-03-02 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 68.346, 68.346, 67.070 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.080 - 2.200 |
R-factor | 0.203 |
Rwork | 0.203 |
R-free | 0.23300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fxf |
RMSD bond length | 0.005 |
RMSD bond angle | 1.100 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.066 | 0.390 |
Number of reflections | 9562 | |
<I/σ(I)> | 27 | 3.9 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 4 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.2 M Calcium Chloride, 28% PEG 400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |