7FBF
The 0.86 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with octanoic 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 MX300HE |
| Wavelength(s) | 0.8 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.566, 69.740, 33.911 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.220 - 0.860 |
| R-factor | 0.11871 |
| Rwork | 0.118 |
| R-free | 0.12323 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4tjz |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.293 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 0.870 |
| High resolution limit [Å] | 0.860 | 0.860 |
| Rmerge | 0.067 | 0.420 |
| Number of reflections | 107983 | 5291 |
| <I/σ(I)> | 11.3 | 3 |
| Completeness [%] | 97.9 | |
| Redundancy | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1M Tris-HCl (pH8.5), 60% PEG 400 |
