3SRC
Structure of Pseudomonas aeruginosa PvdQ bound to NS2028
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 2010-03-24 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97945 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 120.565, 165.828, 93.951 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.000 - 2.000 |
| R-factor | 0.19796 |
| Rwork | 0.197 |
| R-free | 0.22179 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l91 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.265 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.076 | 0.476 |
| Number of reflections | 61883 | |
| <I/σ(I)> | 9.9 | 1.7 |
| Completeness [%] | 97.2 | 82 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 10-15% PEG4000, 50-100 mM rubidium chloride, 50 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
