8R1V
Pseudomonas aeruginosa FabF C164A in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-methoxyphenoxy)acetamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-09-15 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.8731 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 100.947, 104.339, 144.117 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 72.655 - 2.087 |
Rwork | 0.189 |
R-free | 0.25420 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 2.108 |
Data reduction software | XDS (Sep 15, 2023) |
Data scaling software | Aimless (0.7.7 :23/04/21) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.655 | 2.140 |
High resolution limit [Å] | 2.087 | 2.090 |
Number of reflections | 45462 | 3420 |
<I/σ(I)> | 6.2 | |
Completeness [%] | 99.8 | 97.7 |
Redundancy | 6.7 | 6.6 |
CC(1/2) | 0.993 | 0.436 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.24M ammonium formate and 35% PEG3350 |