4TKB
The 0.86 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with lauric acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-12 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.8000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.479, 69.765, 33.837 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.940 - 0.860 |
| R-factor | 0.10921 |
| Rwork | 0.109 |
| R-free | 0.12069 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.650 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 0.870 |
| High resolution limit [Å] | 0.860 | 0.860 |
| Rmerge | 0.392 | |
| Number of reflections | 107896 | |
| <I/σ(I)> | 9.8 | 2.3 |
| Completeness [%] | 98.0 | 82 |
| Redundancy | 12 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1M Tris-HCl, 55%(v/v) PEG400 |
