3HCQ
Structural analysis of the choline binding protein ChoX in a semi-closed and ligand-free conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-15 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.100, 232.500, 47.300 |
| Unit cell angles | 90.00, 90.20, 90.00 |
Refinement procedure
| Resolution | 19.470 - 2.890 |
| R-factor | 0.24461 |
| Rwork | 0.242 |
| R-free | 0.28469 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rin |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.161 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.000 |
| High resolution limit [Å] | 2.890 | 2.900 |
| Rmerge | 0.116 | 0.421 |
| Number of reflections | 16055 | |
| <I/σ(I)> | 11 | 2.8 |
| Completeness [%] | 98.8 | 99.4 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | ChoX crystals were obtained using the hanging drop method at 293 K, against a reservoir solution of 100 mM Na-acetate pH 4.8-5.0 and 15-25% polyethylene glycol 3350. , VAPOR DIFFUSION, HANGING DROP |
