5WZW
Crystal structure of human secreted phospholipase A2 group IIE with LY311727
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2013-05-15 |
Detector | OXFORD RUBY CCD |
Wavelength(s) | 1.5406 |
Spacegroup name | P 21 2 2 |
Unit cell lengths | 48.853, 61.219, 63.325 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.380 - 1.950 |
R-factor | 0.2066 |
Rwork | 0.204 |
R-free | 0.25520 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.446 |
Data scaling software | Aimless (0.5.28) |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 17.380 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.055 | 0.213 |
Rmeas | 0.062 | 0.254 |
Rpim | 0.028 | 0.136 |
Number of reflections | 14384 | |
<I/σ(I)> | 19.6 | |
Completeness [%] | 99.8 | 100 |
Redundancy | 4.5 | 3.3 |
CC(1/2) | 0.997 | 0.943 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 2.2M Sodium chloride, 0.1M BIS-TRIS propane pH 7.0 |