7K5N
Ligand binding domain (tandem PAS/dCache) of Aeromonas caviae diguanylate cyclase with proline bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2019-03-31 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 86.188, 86.188, 75.078 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.470 - 1.800 |
R-factor | 0.2375 |
Rwork | 0.236 |
R-free | 0.26070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c8c |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.063 | |
Rmeas | 0.089 | |
Rpim | 0.064 | |
Number of reflections | 26946 | 1304 |
<I/σ(I)> | 30 | |
Completeness [%] | 100.0 | |
Redundancy | 20 | |
CC(1/2) | 0.990 | 0.208 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | crystal growth conditions: 80 mM sodium acetate trihydrate pH 4.5 and 1.4 - 1.5 M sodium formate. cryoprotectant was the crystal growth conditions plus 10 mM proline and 20% glycerol. crystals were briefly (< 1min) swished through cryoprotectant before flash frozen in liquid nitrogen |