3H77
Crystal structure of Pseudomonas aeruginosa PqsD in a covalent complex with anthranilate
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 | P 1 21 1 |
Unit cell lengths | 67.894, 59.656, 83.427 |
Unit cell angles | 90.00, 103.95, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.800 |
R-factor | 0.15409 |
Rwork | 0.152 |
R-free | 0.19488 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3h76 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.663 |
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 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.068 | 0.402 |
Number of reflections | 59980 | |
<I/σ(I)> | 7.8 | 6.2 |
Completeness [%] | 99.7 | 99.3 |
Redundancy | 7 | 6.1 |
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 |