7X48
The 0.86 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with 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 | 2012-11-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.800 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.584, 69.875, 33.858 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.790 - 0.860 |
| R-factor | 0.11323 |
| Rwork | 0.112 |
| R-free | 0.12744 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wvm |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.844 |
| 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] | 43.020 | 0.870 |
| High resolution limit [Å] | 0.860 | 0.860 |
| Rmerge | 0.079 | 0.402 |
| Number of reflections | 109782 | 5030 |
| <I/σ(I)> | 8.4 | 1.8 |
| Completeness [%] | 99.4 | |
| Redundancy | 11.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1M Tris-HCl (pH8.0), 45% PEG 400 |
