2QHV
Structural Basis of Octanoic Acid Recognition by Lipoate-Protein Ligase B
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 110 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97925, 0.97942, 0.95000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 63.670, 63.670, 113.962 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.600 |
R-factor | 0.21 |
Rwork | 0.207 |
R-free | 0.23700 |
Structure solution method | MAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.202 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 1.660 |
High resolution limit [Å] | 1.600 | 3.440 | 1.600 |
Rmerge | 0.078 | 0.059 | 0.360 |
Number of reflections | 31493 | ||
<I/σ(I)> | 9.6 | ||
Completeness [%] | 99.2 | 96.3 | 99.9 |
Redundancy | 7.4 | 7.1 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 50mM HEPES at pH 7.0, 4.0M lithium chloride, 5%(v/v) PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |