5SN7
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z32327641
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 | 2019-04-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91587 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 138.411, 65.849, 84.369 |
Unit cell angles | 90.00, 93.72, 90.00 |
Refinement procedure
Resolution | 84.190 - 1.520 |
R-factor | 0.1766 |
Rwork | 0.175 |
R-free | 0.20340 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | None |
RMSD bond length | 0.011 |
RMSD bond angle | 1.710 |
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] | 84.270 | 84.270 | 1.560 |
High resolution limit [Å] | 1.520 | 6.800 | 1.520 |
Rmerge | 0.059 | 0.033 | 0.626 |
Rmeas | 0.071 | 0.041 | 0.833 |
Rpim | 0.040 | 0.024 | 0.545 |
Total number of observations | 309306 | 4350 | 10935 |
Number of reflections | 113221 | ||
<I/σ(I)> | 8.6 | 23.3 | 1.1 |
Completeness [%] | 97.2 | 99.9 | 78.1 |
Redundancy | 2.7 | 3.1 | 1.6 |
CC(1/2) | 0.987 | 0.873 | 0.532 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |