8A26
Lysophospholipase PlaA from Legionella pneumophila str. Corby - complex with palmitate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-18 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.3778 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 82.919, 82.919, 68.639 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.620 - 1.450 |
R-factor | 0.1555 |
Rwork | 0.154 |
R-free | 0.17620 |
Structure solution method | FOURIER SYNTHESIS |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.620 | 49.620 | 1.530 |
High resolution limit [Å] | 1.450 | 4.590 | 1.450 |
Rmerge | 0.063 | 0.030 | 1.335 |
Rmeas | 0.064 | 0.031 | 1.356 |
Rpim | 0.011 | 0.005 | 0.238 |
Total number of observations | 1592101 | 51964 | 226368 |
Number of reflections | 48623 | 1665 | 7019 |
<I/σ(I)> | 33.6 | 127.3 | 2.9 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 32.7 | 31.2 | 32.3 |
CC(1/2) | 1.000 | 1.000 | 0.877 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 292 | 2.2 M (NH4)2SO4, 0.2 M NH4 acetate cryoprotection: 10% (v/v) (2R,3R)-(-)-2,3-butandiole, 2.2 M (NH4)2SO4, 0.2 M NH4 acetate |