2QO5
Crystal structure of the cysteine 91 threonine mutant of zebrafish liver bile acid-binding protein complexed with cholic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 28.012, 63.276, 35.671 |
| Unit cell angles | 90.00, 105.51, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.500 |
| R-factor | 0.22015 |
| Rwork | 0.219 |
| R-free | 0.24893 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qo4 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.217 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.100 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.065 | 0.133 |
| Number of reflections | 19136 | |
| <I/σ(I)> | 16.8 | 8.2 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 0.2M ammonium acetate, 30% PEG 4000, 0.1M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
