3FVI
Crystal Structure of Complex of Phospholipase A2 with Octyl Sulfates
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2003-06-10 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.988, 82.061, 123.824 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.540 - 2.700 |
R-factor | 0.206 |
Rwork | 0.206 |
R-free | 0.27500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fxf |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
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] | 33.540 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.119 | 0.466 |
Number of reflections | 18967 | |
<I/σ(I)> | 15.3 | 3.1 |
Completeness [%] | 99.1 | 98.1 |
Redundancy | 8 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 289 | 0.1 M sodium acetate, 8% w/v PEG 8000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 289K |