6ZTH
Phospholipase PlaB from Legionella pneumophila
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 | 2017-09-12 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 75.806, 170.578, 93.485 |
Unit cell angles | 90.00, 92.86, 90.00 |
Refinement procedure
Resolution | 49.240 - 2.300 |
R-factor | 0.3662 |
Rwork | 0.364 |
R-free | 0.41270 |
Structure solution method | SAD |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHENIX |
Refinement software | PHENIX (dev_3922) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.240 | 49.240 | 2.340 |
High resolution limit [Å] | 2.300 | 12.600 | 2.300 |
Rmerge | 0.243 | 0.087 | 1.246 |
Rmeas | 0.263 | 0.094 | 1.347 |
Rpim | 0.099 | 0.036 | 0.508 |
Total number of observations | 728092 | 4502 | 35630 |
Number of reflections | 104870 | 657 | 5140 |
<I/σ(I)> | 5.9 | 16.8 | 1.5 |
Completeness [%] | 99.9 | 98.3 | 99.9 |
Redundancy | 6.9 | 6.9 | 6.9 |
CC(1/2) | 0.992 | 0.997 | 0.724 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 292 | 77.8 mM NaSCN, 1.67% glycerol, 5.44% PEG400, 11.6% 2-propanol, 4.11% tacsimate , seeding required |