7FEK
The 1.05 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with perfluorooctanoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-13 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.90000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.689, 68.819, 33.752 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.710 - 1.050 |
| R-factor | 0.11817 |
| Rwork | 0.117 |
| R-free | 0.13760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wvm |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.329 |
| 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 | 1.070 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.045 | 0.343 |
| Rpim | 0.013 | 0.115 |
| Number of reflections | 57949 | 2744 |
| <I/σ(I)> | 13.5 | 4.4 |
| Completeness [%] | 96.1 | |
| Redundancy | 11.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1M Tris-HCl (pH 8.0 or 8.5), 55% PEG 400 |
