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 |