5SNZ
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z44567722
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 | 137.953, 65.495, 84.411 |
Unit cell angles | 90.00, 93.35, 90.00 |
Refinement procedure
Resolution | 84.270 - 1.840 |
R-factor | 0.1816 |
Rwork | 0.179 |
R-free | 0.22110 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | None |
RMSD bond length | 0.008 |
RMSD bond angle | 1.506 |
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] | 84.320 | 84.320 | 1.890 |
High resolution limit [Å] | 1.840 | 8.230 | 1.840 |
Rmerge | 0.109 | 0.025 | 0.922 |
Rmeas | 0.131 | 0.030 | 1.158 |
Rpim | 0.072 | 0.017 | 0.693 |
Total number of observations | 207863 | 2478 | 12801 |
Number of reflections | 65359 | ||
<I/σ(I)> | 7.7 | 33.3 | 1 |
Completeness [%] | 99.8 | 99.9 | 99.7 |
Redundancy | 3.2 | 3.2 | 2.7 |
CC(1/2) | 0.994 | 0.991 | 0.512 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |