3HGG
Crystal Structure of CmeR Bound to Cholic Acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | .98 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 93.923, 37.238, 57.525 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.260 - 2.570 |
| R-factor | 0.215 |
| Rwork | 0.215 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.590 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.660 |
| High resolution limit [Å] | 2.570 | 2.570 |
| Rmerge | 0.060 | 0.216 |
| Number of reflections | 6861 | |
| <I/σ(I)> | 20 | 6 |
| Completeness [%] | 98.2 | 83.5 |
| Redundancy | 3.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 22% PEG 3350, 0.1M Magnesium Chloride, 5% JM600, 20mM Sodium Acetate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
