3SRB
Structure of Pseudomonas aeruginosa PvdQ bound to SMER28
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 2010-07-06 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97946 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 120.961, 166.746, 93.856 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 1.800 |
| R-factor | 0.18887 |
| Rwork | 0.188 |
| R-free | 0.20338 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l91 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.053 |
| 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] | 35.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.039 | 0.187 |
| Number of reflections | 94858 | |
| <I/σ(I)> | 21 | 4 |
| Completeness [%] | 99.6 | 100 |
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 |
