7WF0
The 0.83 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with nervonic 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 | 2014-10-08 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.8000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.632, 69.586, 33.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.310 - 0.830 |
| R-factor | 0.11618 |
| Rwork | 0.116 |
| R-free | 0.12700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wvm |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.371 |
| 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] | 42.970 | 0.840 |
| High resolution limit [Å] | 0.830 | 0.830 |
| Rmerge | 0.054 | 0.761 |
| Number of reflections | 114728 | 5413 |
| <I/σ(I)> | 9.5 | 2.1 |
| Completeness [%] | 93.7 | |
| Redundancy | 9.8 |
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 |
