3G8G
Crystal structure of phospholipase A2 ammodytoxin A from vipera ammodytes ammodytes
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2007-03-11 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.8726 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 68.190, 68.190, 46.080 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.527 - 1.700 |
R-factor | 0.174 |
Rwork | 0.172 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zwp |
RMSD bond length | 0.012 |
RMSD bond angle | 1.193 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.527 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.143 | 0.791 |
Number of reflections | 13933 | |
<I/σ(I)> | 4.7 | 1 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 10.4 | 10.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 1.26M (NH4)2SO4, 0.1M TRIS, 0.2M (LI)2SO4, pH 8.50, VAPOR DIFFUSION, HANGING DROP, temperature 291K |