7XBC
The 0.92 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with lignoceric 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 | 2013-07-09 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.800 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.718, 69.909, 33.635 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.170 - 0.920 |
| R-factor | 0.11667 |
| Rwork | 0.116 |
| R-free | 0.12572 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wvm |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.874 |
| 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] | 43.080 | 0.940 |
| High resolution limit [Å] | 0.920 | 0.920 |
| Rmerge | 0.067 | 0.406 |
| Number of reflections | 88825 | 4455 |
| <I/σ(I)> | 9.3 | 3.7 |
| Completeness [%] | 98.4 | |
| Redundancy | 11.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M Mes-NaOH (pH6.5), 50% PEG 400 |
