7FC4
X-ray structure of the human heart fatty acid-binding protein complexed with S-Ibuprofen
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 | 2013-04-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.90000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 69.524, 107.866, 48.195 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.960 - 1.500 |
| R-factor | 0.13995 |
| Rwork | 0.138 |
| R-free | 0.18429 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wvm |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.116 |
| 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] | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.064 | 0.380 |
| Number of reflections | 29346 | 1463 |
| <I/σ(I)> | 9.5 | 3.2 |
| Completeness [%] | 99.7 | |
| Redundancy | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 0.1M Na-citrate (pH4.5), 40% PEG 400 |
