8CTP
Crystal structure of engineered phospholipase D mutant superPLD 2-23
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-17 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.725, 73.000, 87.482 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.050 - 1.900 |
R-factor | 0.179 |
Rwork | 0.176 |
R-free | 0.23230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1v0y |
RMSD bond length | 0.011 |
RMSD bond angle | 1.085 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.050 | 1.973 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 36421 | 3442 |
<I/σ(I)> | 12.1 | 2 |
Completeness [%] | 98.8 | |
Redundancy | 5.5 | |
CC(1/2) | 0.992 | 0.820 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.15 | 291 | 19% PEG8000, 0.15 M lithium sulfate, citrate-NaOH, pH 4.15 |