5SNX
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1267881672
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 | 2019-05-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91587 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 137.072, 65.088, 84.368 |
Unit cell angles | 90.00, 93.64, 90.00 |
Refinement procedure
Resolution | 84.200 - 1.990 |
R-factor | 0.1902 |
Rwork | 0.187 |
R-free | 0.24820 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | None |
RMSD bond length | 0.010 |
RMSD bond angle | 1.598 |
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] | 84.150 | 84.150 | 2.040 |
High resolution limit [Å] | 1.990 | 8.900 | 1.990 |
Rmerge | 0.191 | 0.062 | 0.965 |
Rmeas | 0.228 | 0.075 | 1.165 |
Rpim | 0.123 | 0.041 | 0.646 |
Total number of observations | 167970 | 2031 | 11719 |
Number of reflections | 50981 | ||
<I/σ(I)> | 4.2 | 10.9 | 1.2 |
Completeness [%] | 99.9 | 99.9 | 99.7 |
Redundancy | 3.3 | 3.3 | 3.1 |
CC(1/2) | 0.979 | 0.958 | 0.505 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |