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 |