7JRW
Phospholipase D engineered mutant bound to phosphatidic acid (5 day soak)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-03-20 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.953700 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.663, 84.485, 98.992 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.190 - 1.990 |
Rwork | 0.161 |
R-free | 0.19610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ze4 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.040 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.16) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.190 | 2.060 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.098 | 0.385 |
Number of reflections | 34391 | 3376 |
<I/σ(I)> | 17.66 | |
Completeness [%] | 99.8 | |
Redundancy | 7.3 | |
CC(1/2) | 0.998 | 0.948 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 298 | 15% PEG6000, 100 mM MES, pH 6.0 |