9ETE
Crystal structure of recombinant chicken liver Bile Acid Binding Protein (cL-BABP) in complex with deoxycholic 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 | 2022-05-13 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.516, 60.375, 64.105 |
| Unit cell angles | 90.00, 99.18, 90.00 |
Refinement procedure
| Resolution | 36.070 - 2.100 |
| R-factor | 0.24716 |
| Rwork | 0.242 |
| R-free | 0.34657 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.518 |
| 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] | 63.280 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.078 | 0.355 |
| Rmeas | 0.128 | 0.444 |
| Rpim | 0.076 | 0.262 |
| Number of reflections | 13482 | 2018 |
| <I/σ(I)> | 5.1 | 2.2 |
| Completeness [%] | 83.5 | |
| Redundancy | 2.3 | |
| CC(1/2) | 0.977 | 0.857 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 281 | 25% wt/vol PEG-3500, 200 mM lithium sulfate monohydrate, and 100 mM BIS-TRIS, pH 6.5 |
