8PFZ
Pseudomonas aeruginosa FabF C164A mutant in complex with(S)-2-(1H-pyrazole-3-carboxamido)butanoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-11-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.03321 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 101.160, 103.560, 141.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.610 - 1.780 |
R-factor | 0.18844 |
Rwork | 0.188 |
R-free | 0.22601 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.482 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.610 | 1.890 |
High resolution limit [Å] | 1.780 | 1.780 |
Number of reflections | 128662 | 16075 |
<I/σ(I)> | 10.16 | |
Completeness [%] | 93.6 | 72.3 |
Redundancy | 3.54 | 2.14 |
CC(1/2) | 0.990 | 0.340 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.20M ammonium formate and 31.2% PEG3350 |