5SNS
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1354416068
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 | 2019-05-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91587 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 136.848, 65.050, 84.029 |
Unit cell angles | 90.00, 92.74, 90.00 |
Refinement procedure
Resolution | 83.930 - 2.160 |
R-factor | 0.1931 |
Rwork | 0.190 |
R-free | 0.25350 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | None |
RMSD bond length | 0.006 |
RMSD bond angle | 1.436 |
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] | 83.970 | 83.970 | 2.220 |
High resolution limit [Å] | 2.160 | 9.660 | 2.160 |
Rmerge | 0.178 | 0.055 | 1.076 |
Rmeas | 0.213 | 0.065 | 1.284 |
Rpim | 0.116 | 0.035 | 0.694 |
Total number of observations | 130557 | 1616 | 9773 |
Number of reflections | 39681 | ||
<I/σ(I)> | 4.5 | 12.5 | 1.2 |
Completeness [%] | 99.8 | 99.9 | 99.8 |
Redundancy | 3.3 | 3.4 | 3.3 |
CC(1/2) | 0.984 | 0.995 | 0.504 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |