5SO2
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z31504642
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-21 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.91587 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 137.601, 65.565, 84.330 |
Unit cell angles | 90.00, 93.40, 90.00 |
Refinement procedure
Resolution | 68.770 - 2.380 |
R-factor | 0.1807 |
Rwork | 0.177 |
R-free | 0.25150 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | None |
RMSD bond length | 0.009 |
RMSD bond angle | 1.554 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 68.660 | 68.660 | 2.440 |
High resolution limit [Å] | 2.380 | 10.640 | 2.380 |
Rmerge | 0.324 | 0.070 | 1.214 |
Rmeas | 0.386 | 0.083 | 1.462 |
Rpim | 0.208 | 0.043 | 0.807 |
Total number of observations | 101439 | 1262 | 7036 |
Number of reflections | 30244 | ||
<I/σ(I)> | 3.7 | 8.5 | 1.4 |
Completeness [%] | 99.9 | 99.4 | 99.5 |
Redundancy | 3.4 | 3.5 | 3.2 |
CC(1/2) | 0.939 | 0.996 | 0.399 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |