7WCI
The 0.85 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with two molecules of pelargonic 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 | 2013-11-11 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.800 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.674, 69.633, 33.671 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.140 - 0.850 |
| R-factor | 0.12758 |
| Rwork | 0.127 |
| R-free | 0.14220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4tjz |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.235 |
| 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] | 43.000 | 0.860 |
| High resolution limit [Å] | 0.850 | 0.850 |
| Rmerge | 0.089 | 0.387 |
| Number of reflections | 109376 | 5448 |
| <I/σ(I)> | 9.9 | 2 |
| Completeness [%] | 96.4 | |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.1M Hepes-NaOH (pH7.0), 45% PEG 400 |
