4X93
Crystal structure of Lysosomal Phospholipase A2 crystallized in the presence of methyl arachidonyl fluorophosphonate (tetragonal form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-14 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97933 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 86.820, 86.820, 365.848 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.600 |
R-factor | 0.1995 |
Rwork | 0.199 |
R-free | 0.21820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4x90 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.240 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.640 |
High resolution limit [Å] | 2.600 | 7.030 | 2.600 |
Rmerge | 0.159 | 0.073 | |
Rmeas | 0.165 | 0.076 | |
Rpim | 0.049 | 0.020 | 0.428 |
Total number of observations | 654390 | ||
Number of reflections | 44707 | ||
<I/σ(I)> | 4.4 | ||
Completeness [%] | 100.0 | 99.6 | 100 |
Redundancy | 14.6 | 14.4 | 14.7 |
CC(1/2) | 0.997 | 0.761 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 100 mM HEPES pH 7.5, 30% PEG MME 550, 50 mM MgCl2 |