5KS7
Crystal structure of Listeria monocytogenes OpuCA CBS domain dimer in complex with cyclic-di-AMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-09-10 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.342, 43.861, 68.841 |
| Unit cell angles | 90.00, 94.94, 90.00 |
Refinement procedure
| Resolution | 43.390 - 2.900 |
| R-factor | 0.26857 |
| Rwork | 0.266 |
| R-free | 0.32310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AtCBSX1 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.671 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.115 | 0.330 |
| Number of reflections | 6932 | |
| <I/σ(I)> | 7.9 | 2.2 |
| Completeness [%] | 97.3 | 89.3 |
| Redundancy | 2.5 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293 | 0.1M bicine (pH 9.0), 3% (w/v) PEG 20,000, and 2% (v/v) 1,4-dioxane |
