2QHT
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 | 63.609, 63.609, 113.869 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.500 |
| R-factor | 0.201 |
| Rwork | 0.199 |
| R-free | 0.22200 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.247 |
| 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 | 1.550 |
| High resolution limit [Å] | 1.500 | 3.230 | 1.500 |
| Rmerge | 0.081 | 0.059 | 0.473 |
| Number of reflections | 38111 | ||
| <I/σ(I)> | 11.4 | ||
| Completeness [%] | 99.6 | 97.4 | 99.7 |
| Redundancy | 7.3 | 7.5 | 5.2 |
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 |
