5SNI
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z285782452
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 | 2019-05-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91587 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 137.258, 65.588, 84.124 |
Unit cell angles | 90.00, 93.23, 90.00 |
Refinement procedure
Resolution | 68.610 - 2.110 |
R-factor | 0.1845 |
Rwork | 0.181 |
R-free | 0.24910 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | None |
RMSD bond length | 0.009 |
RMSD bond angle | 1.574 |
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] | 68.560 | 68.560 | 2.160 |
High resolution limit [Å] | 2.110 | 9.440 | 2.110 |
Rmerge | 0.155 | 0.044 | 0.978 |
Rmeas | 0.185 | 0.052 | 1.164 |
Rpim | 0.101 | 0.028 | 0.624 |
Total number of observations | 141739 | 1723 | 10727 |
Number of reflections | 43099 | ||
<I/σ(I)> | 4.8 | 13.7 | 1.2 |
Completeness [%] | 99.8 | 99.8 | 99.8 |
Redundancy | 3.3 | 3.3 | 3.4 |
CC(1/2) | 0.985 | 0.997 | 0.520 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |