3HGY
Crystal Structure of CmeR Bound to Taurocholic 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 | 93.690, 37.488, 57.733 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.358 - 2.416 |
| R-factor | 0.237 |
| Rwork | 0.235 |
| R-free | 0.28900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.649 |
| 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 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.102 | 0.467 |
| Number of reflections | 8018 | |
| <I/σ(I)> | 10.685 | 3.1 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 4.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 24% PEG 3350, 0.1M Tris 8.5, 0.1M Magnesium Chloride, 5% JM600, 20mM Sodium Acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
