5SN8
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z375990520
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 | 2019-04-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91587 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 138.650, 65.928, 84.493 |
Unit cell angles | 90.00, 93.48, 90.00 |
Refinement procedure
Resolution | 69.290 - 1.800 |
R-factor | 0.1874 |
Rwork | 0.185 |
R-free | 0.22380 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | None |
RMSD bond length | 0.009 |
RMSD bond angle | 1.568 |
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] | 69.200 | 69.200 | 1.900 |
High resolution limit [Å] | 1.800 | 5.690 | 1.800 |
Rmerge | 0.148 | 0.047 | 1.010 |
Rmeas | 0.177 | 0.056 | 1.258 |
Rpim | 0.096 | 0.030 | 0.740 |
Total number of observations | 232184 | 7859 | 28376 |
Number of reflections | 70570 | ||
<I/σ(I)> | 6.3 | 19.2 | 1.1 |
Completeness [%] | 99.7 | 99.7 | 99.7 |
Redundancy | 3.3 | 3.4 | 2.8 |
CC(1/2) | 0.990 | 0.996 | 0.392 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |