3SRA
Structure of Pseudomonas aerugionsa PvdQ covalently acylated with myristic acid from PVDIq
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 | 2011-02-15 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97918 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 120.168, 166.622, 93.746 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.300 - 2.300 |
R-factor | 0.18407 |
Rwork | 0.182 |
R-free | 0.21657 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3l91 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.191 |
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] | 29.300 | 2.400 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.114 | 0.352 |
Number of reflections | 42380 | |
<I/σ(I)> | 12 | 2.9 |
Completeness [%] | 99.4 | 99.8 |
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. Crystal transferred through multiple pH solutions to pH 5.0 for ligand addition, VAPOR DIFFUSION, HANGING DROP, temperature 293K |