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 |