7JRU
Phospholipase D engineered mutant bound to phosphatidic acid (8 hour 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 | 58.581, 84.434, 99.068 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.130 - 2.210 |
Rwork | 0.178 |
R-free | 0.23860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ze4 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.977 |
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] | 48.130 | 2.290 |
High resolution limit [Å] | 2.210 | 2.210 |
Rmerge | 0.200 | |
Number of reflections | 25322 | 2472 |
<I/σ(I)> | 10.13 | |
Completeness [%] | 99.9 | |
Redundancy | 7.3 | |
CC(1/2) | 0.994 | 0.782 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 298 | 15% PEG6000, 100 mM MES, pH 6.0 |