7WPU
The 0.95 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with undecanoic 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 | 2013-06-25 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.657, 69.908, 33.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.280 - 0.950 |
| R-factor | 0.10405 |
| Rwork | 0.104 |
| R-free | 0.11316 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wvm |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.013 |
| 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] | 43.050 | 0.970 |
| High resolution limit [Å] | 0.950 | 0.950 |
| Rmerge | 0.060 | 0.372 |
| Number of reflections | 81542 | 3967 |
| <I/σ(I)> | 7 | 2.6 |
| Completeness [%] | 99.1 | |
| Redundancy | 12.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293 | 0.1M Glycin-NaOH (pH9.0), 55% PEG 400 |
