3AKM
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 | 2008-04-18 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.020, 79.011, 63.240 |
| Unit cell angles | 90.00, 94.48, 90.00 |
Refinement procedure
| Resolution | 33.480 - 1.900 |
| R-factor | 0.22866 |
| Rwork | 0.226 |
| R-free | 0.27909 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ifb |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.722 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.800 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.100 | 0.486 |
| Number of reflections | 39319 | |
| <I/σ(I)> | 8.8 | 2.4 |
| Completeness [%] | 99.5 | 99.6 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 30-34% w/v PEG 4000, 0.2M Magnesium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
