6DJ6
The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B2 protein loaded with cis-oleic acid to 1.9 Angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.720, 103.851, 108.174 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.150 - 1.900 |
| R-factor | 0.17333 |
| Rwork | 0.171 |
| R-free | 0.22655 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | MODBASE sequence based generated 3D model |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.361 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.920 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.109 | 0.683 |
| Rmeas | 0.129 | 0.896 |
| Rpim | 0.067 | 0.510 |
| Number of reflections | 52631 | 3366 |
| <I/σ(I)> | 9.4 | 1.9 |
| Completeness [%] | 98.3 | 99.6 |
| Redundancy | 3.7 | 3.7 |
| CC(1/2) | 0.993 | 0.479 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 0.1M HEPES pH 7.4, 10% v/v isopropanol, 20% w/v PEG4000 |
