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 |