3H78
Crystal structure of Pseudomonas aeruginosa PqsD C112A mutant in complex with anthranilic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0809 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 81.465, 59.178, 125.993 |
| Unit cell angles | 90.00, 92.30, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.700 |
| R-factor | 0.15238 |
| Rwork | 0.150 |
| R-free | 0.19535 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h77 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.337 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.061 | 0.387 |
| Number of reflections | 62039 | |
| <I/σ(I)> | 7.8 | 7.1 |
| Completeness [%] | 93.7 | 84.1 |
| Redundancy | 6.5 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.2 M MgCl2, 0.1M Tris-HCl pH 8.5, 21% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
