5SO4
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with JKH93A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97628 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 137.796, 65.808, 84.507 |
Unit cell angles | 90.00, 93.90, 90.00 |
Refinement procedure
Resolution | 59.430 - 1.590 |
R-factor | 0.188 |
Rwork | 0.186 |
R-free | 0.22040 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | None |
RMSD bond length | 0.010 |
RMSD bond angle | 1.556 |
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] | 59.360 | 59.360 | 1.680 |
High resolution limit [Å] | 1.590 | 5.040 | 1.590 |
Rmerge | 0.083 | 0.032 | 1.244 |
Rmeas | 0.098 | 0.039 | 1.500 |
Rpim | 0.052 | 0.021 | 0.826 |
Total number of observations | 343205 | 11031 | 45102 |
Number of reflections | 100339 | ||
<I/σ(I)> | 8.4 | 28.8 | 0.9 |
Completeness [%] | 99.7 | 99.5 | 99.1 |
Redundancy | 3.4 | 3.4 | 3.1 |
CC(1/2) | 0.998 | 0.998 | 0.440 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |