6KO8
Crystal structure of the Cholic acid bound RamR determined with XtaLAB Synergy
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-X |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-25 |
| Detector | RIGAKU HyPic-6000HE |
| Wavelength(s) | 1.5406 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 86.690, 53.897, 44.223 |
| Unit cell angles | 90.00, 93.06, 90.00 |
Refinement procedure
| Resolution | 22.090 - 1.550 |
| R-factor | 0.1491 |
| Rwork | 0.146 |
| R-free | 0.20380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vvy |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.855 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless (0.5.29) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.090 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.034 | 0.637 |
| Rmeas | 0.037 | 0.772 |
| Rpim | 0.015 | 0.424 |
| Number of reflections | 29492 | 1438 |
| <I/σ(I)> | 16.6 | |
| Completeness [%] | 99.6 | 97.9 |
| Redundancy | 4.6 | 3 |
| CC(1/2) | 0.999 | 0.645 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | PEG3350, ammonium sulfate, sodium Citrate |
