7FFX
The 0.88 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with alpha-llinolenic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-02-04 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.94000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.691, 69.979, 33.614 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.650 - 0.880 |
| R-factor | 0.11619 |
| Rwork | 0.116 |
| R-free | 0.12464 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wvm |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.345 |
| 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 | 0.900 |
| High resolution limit [Å] | 0.880 | 0.880 |
| Rpim | 0.045 | 0.226 |
| Number of reflections | 102261 | 5071 |
| <I/σ(I)> | 5.8 | 2.3 |
| Completeness [%] | 99.4 | |
| Redundancy | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1M MES-NaOH (pH6.5), 55% PEG 400 or 0.1M Tris-HCl (pH8.0), 50% PEG 400 |
