7FEU
The 0.95 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with perfluorononanoic 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 | 54.721, 69.615, 33.832 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.390 - 0.950 |
| R-factor | 0.11812 |
| Rwork | 0.117 |
| R-free | 0.13809 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wvm |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.328 |
| 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] | 0.950 | 0.950 |
| Rpim | 0.017 | 0.321 |
| Number of reflections | 79891 | 3040 |
| <I/σ(I)> | 15.9 | 2 |
| Completeness [%] | 97.3 | |
| Redundancy | 9.2 |
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 |
