9ETC
Crystal structure of recombinant chicken liver Bile Acid Binding Protein (cL-BABP) in complex with chenodeoxycholic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-12-12 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.95373 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.564, 60.763, 63.546 |
| Unit cell angles | 90.00, 99.55, 90.00 |
Refinement procedure
| Resolution | 43.660 - 1.650 |
| R-factor | 0.20536 |
| Rwork | 0.203 |
| R-free | 0.26189 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.568 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.670 | 1.740 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.046 | 0.851 |
| Rmeas | 0.049 | 0.917 |
| Rpim | 0.019 | 0.340 |
| Number of reflections | 32846 | 4767 |
| <I/σ(I)> | 16.4 | 2.2 |
| Completeness [%] | 99.2 | |
| Redundancy | 7 | |
| CC(1/2) | 0.999 | 0.876 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 281 | 200 mM sodium chloride, 25 % wt/vol PEG-3500 and 100 mM HEPES, pH 7.5 |
