3EM0
Crystal structure of Zebrafish Ileal Bile Acid-Bindin Protein complexed with cholic acid (crystal form B).
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-06-01 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.03 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 96.285, 85.285, 75.055 |
Unit cell angles | 90.00, 127.65, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.200 |
R-factor | 0.2272 |
Rwork | 0.226 |
R-free | 0.25422 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3elz |
RMSD bond length | 0.012 |
RMSD bond angle | 1.536 |
Data reduction software | AUTOMAR |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.059 | 0.312 |
Number of reflections | 24125 | |
<I/σ(I)> | 9.1 | 1.3 |
Completeness [%] | 98.6 | 97.3 |
Redundancy | 3.1 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M Sodium HEPES, 2.0 M ammonium sulfate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |