8KA1
Crystal structure of Vibrio vulnificus RID-dependent transforming NADase domain (RDTND)/calmodulin-binding domain of Rho inactivation domain (RID-CBD) complexed with Ca2+-free calmodulin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 11C |
Synchrotron site | PAL/PLS |
Beamline | 11C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-03-03 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9794 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 106.032, 88.081, 136.954 |
Unit cell angles | 90.00, 90.14, 90.00 |
Refinement procedure
Resolution | 49.530 - 2.820 |
R-factor | 0.275 |
Rwork | 0.271 |
R-free | 0.34150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8k9z |
RMSD bond length | 0.013 |
RMSD bond angle | 1.044 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.870 |
High resolution limit [Å] | 2.820 | 2.820 |
Number of reflections | 55183 | 2330 |
<I/σ(I)> | 5.3 | |
Completeness [%] | 98.1 | |
Redundancy | 4.7 | |
CC(1/2) | 0.988 | 0.561 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20% (w/v) PEG 3350, 0.1 M HEPES-NaOH (pH 7.5), 0.28 M MgCl2, and 6 mM MnCl2 |