3AKN
X-ray structure of iFABP from human and rat with bound fluorescent fatty acid analogue
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-22 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 50.590, 50.590, 97.452 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.900 - 1.600 |
| R-factor | 0.22642 |
| Rwork | 0.225 |
| R-free | 0.25671 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ifb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.377 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.900 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.056 | 0.382 |
| Number of reflections | 17480 | |
| <I/σ(I)> | 42 | 10.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 27.7 | 28.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 30-45% w/v PEG 2000, 0.1M Tris pH 7.0, 0.2M magnesium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
