9ETD
Crystal structure of recombinant chicken liver Bile Acid Binding Protein (cL-BABP) in complex with ursodeoxycholic 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 | 36.335, 60.631, 61.672 |
| Unit cell angles | 90.00, 95.90, 90.00 |
Refinement procedure
| Resolution | 61.340 - 2.300 |
| R-factor | 0.22365 |
| Rwork | 0.220 |
| R-free | 0.27956 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.586 |
| 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] | 61.340 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.045 | 0.687 |
| Rmeas | 0.048 | 0.740 |
| Rpim | 0.018 | 0.273 |
| Number of reflections | 11971 | 1755 |
| <I/σ(I)> | 17.7 | 2.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7 | |
| CC(1/2) | 1.000 | 0.892 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 281 | 12% wt/vol PEG-3500 and 100 mM sodium formate, pH 7.50 |
