4K2G
Structure of Pseudomonas aeruginosa PvdQ bound to BRD-A33442372
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 113 |
Detector technology | CCD |
Collection date | 2012-10-02 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.541870 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 120.335, 165.508, 93.988 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.490 - 2.300 |
R-factor | 0.19427 |
Rwork | 0.191 |
R-free | 0.24845 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3l94 |
RMSD bond length | 0.022 |
RMSD bond angle | 1.841 |
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] | 15.500 | 2.400 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.081 | 0.369 |
Number of reflections | 37739 | |
<I/σ(I)> | 8.1 | 2.1 |
Completeness [%] | 94.9 | 94.6 |
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 |