8A24
Lysophospholipase PlaA from Legionella pneumophila str. Corby - iodide soak
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-22 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.7712 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 81.852, 81.852, 68.210 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 70.890 - 2.360 |
R-factor | 0.2306 |
Rwork | 0.228 |
R-free | 0.27920 |
Structure solution method | SAD |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | HKL2Map |
Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 70.890 | 70.890 | 2.490 |
High resolution limit [Å] | 2.360 | 7.480 | 2.360 |
Rmerge | 0.189 | 0.080 | 1.821 |
Rmeas | 0.192 | 0.081 | 1.846 |
Rpim | 0.031 | 0.013 | 0.297 |
Total number of observations | 427303 | 14295 | 60109 |
Number of reflections | 11147 | 398 | 1593 |
<I/σ(I)> | 21.4 | 74.2 | 2.5 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 38.3 | 35.9 | 37.7 |
CC(1/2) | 0.999 | 0.999 | 0.844 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 292 | 14.7% (w/v) PEG3350, 1% (w/v) PEG 1K, 0.5% (w/v) PEG200, 8.9% (v/v) Tacsimate pH 5, 200 mM NH4I, 1 mM CaCl2 and 1 mM MgCl2; cryoprotection and iodide soaking for iodide-SAD: 10% (v/v) (2R,3R)-(-)-2,3-butandiole, 16% (w/v) PEG3350, 6% (v/v) Tacsimate pH 5, 920 mM NH4I |