7WKB
The 0.81 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with docosahexaenoic 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 | 2014-10-09 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.8000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.551, 69.427, 33.926 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.400 - 0.810 |
| R-factor | 0.12003 |
| Rwork | 0.119 |
| R-free | 0.13274 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wvm |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.238 |
| 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] | 42.890 | 0.820 |
| High resolution limit [Å] | 0.810 | 0.810 |
| Rmerge | 0.117 | 0.903 |
| Number of reflections | 130201 | 6507 |
| <I/σ(I)> | 7.5 | 2 |
| Completeness [%] | 98.9 | |
| Redundancy | 8.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1M Tris-HCl (pH8.5), 50% PEG 400 |
