4JPF
Structure of wild type Pseudomonas aeruginosa FabF (KASII) in Complex with ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR-H |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2013-02-13 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 71.600, 71.600, 140.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.410 - 1.670 |
R-factor | 0.17103 |
Rwork | 0.169 |
R-free | 0.20212 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4b7v MonomerA |
RMSD bond length | 0.021 |
RMSD bond angle | 1.957 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.410 | 1.770 |
High resolution limit [Å] | 1.670 | 1.670 |
Number of reflections | 43280 | |
<I/σ(I)> | 2.15 | |
Completeness [%] | 99.9 | 94.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.2 M Magnesium Chloride, 0.1 M TRIS, 10% (w/v) PEG8000, 5 mM F24, 5% DMSO, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |