7V55
Crystal structure of phospholipase D from Pseudomonas aeruginosa PAO1 using in situ proteolysis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-04-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 83.566, 83.566, 242.335 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 69.340 - 3.000 |
| R-factor | 0.1923 |
| Rwork | 0.189 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7v53 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 72.370 | 72.370 | 3.180 |
| High resolution limit [Å] | 3.000 | 9.000 | 3.000 |
| Rmerge | 0.123 | 0.024 | 0.734 |
| Rmeas | 0.136 | 0.027 | 0.811 |
| Rpim | 0.057 | 0.012 | 0.336 |
| Total number of observations | 102295 | 3848 | 17824 |
| Number of reflections | 19242 | 831 | 3205 |
| <I/σ(I)> | 11.8 | 42.8 | 2.2 |
| Completeness [%] | 94.4 | 97.5 | 99.3 |
| Redundancy | 5.3 | 4.6 | 5.6 |
| CC(1/2) | 0.996 | 0.999 | 0.746 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 291.1 | 0.2M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3350 |
