5SO3
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with JKH100B
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 | 2019-05-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97628 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 137.770, 65.440, 84.510 |
Unit cell angles | 90.00, 93.68, 90.00 |
Refinement procedure
Resolution | 49.080 - 1.490 |
R-factor | 0.1718 |
Rwork | 0.170 |
R-free | 0.19820 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | None |
RMSD bond length | 0.012 |
RMSD bond angle | 1.760 |
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] | 49.030 | 49.030 | 1.530 |
High resolution limit [Å] | 1.490 | 6.660 | 1.490 |
Rmerge | 0.049 | 0.024 | 0.714 |
Rmeas | 0.058 | 0.029 | 0.911 |
Rpim | 0.031 | 0.015 | 0.555 |
Total number of observations | 374640 | 5023 | 12950 |
Number of reflections | 114620 | ||
<I/σ(I)> | 12.8 | 38.3 | 1.2 |
Completeness [%] | 93.6 | 98.8 | 59.6 |
Redundancy | 3.3 | 3.5 | 2.4 |
CC(1/2) | 0.999 | 0.999 | 0.454 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |