7WC3
X-ray structure of the human adipocyte fatty acid-binding protein complexed with the fluorescent probe HA728
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 | PIXEL |
Collection date | 2021-12-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9000 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 52.980, 71.665, 31.637 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.860 - 1.500 |
R-factor | 0.12537 |
Rwork | 0.123 |
R-free | 0.17548 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fr2 |
RMSD bond length | 0.017 |
RMSD bond angle | 2.028 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.600 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.033 | 0.228 |
Rpim | 0.021 | 0.199 |
Number of reflections | 16963 | 303 |
<I/σ(I)> | 25.5 | 3.6 |
Completeness [%] | 85.0 | |
Redundancy | 5.7 | |
CC(1/2) | 0.999 | 0.926 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1M Tris-HCL (pH8.0), 35% PEG 400 |