4TJZ
The 0.87 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with capric 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 | 2013-05-12 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.80000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.534, 69.664, 33.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.940 - 0.870 |
| R-factor | 0.10853 |
| Rwork | 0.108 |
| R-free | 0.11512 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.709 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 0.890 |
| High resolution limit [Å] | 0.870 | 0.870 |
| Rmerge | 0.400 | |
| Number of reflections | 104970 | |
| <I/σ(I)> | 10.1 | 3.37 |
| Completeness [%] | 98.6 | 97.5 |
| Redundancy | 10.1 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.5M Tris-HCl, 55%(v/v) PEG400 |
