3H76
Crystal structure of PqsD, a key enzyme in Pseudomonas aeruginosa quinolone signal biosynthesis pathway
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-09-18 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.081, 90.420, 67.894 |
Unit cell angles | 90.00, 95.38, 90.00 |
Refinement procedure
Resolution | 25.600 - 1.800 |
R-factor | 0.20167 |
Rwork | 0.198 |
R-free | 0.26593 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hn9 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.913 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.091 | 0.510 |
Number of reflections | 49952 | |
<I/σ(I)> | 5.1 | 1.6 |
Completeness [%] | 91.4 | 88.3 |
Redundancy | 3.1 | 3.07 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.16 M MgCl2, 0.08M Tris-HCl pH 8.5, 24% PEG 4000, 20% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |