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 |
