2RDE
Crystal structure of VCA0042 complexed with c-di-GMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-09-14 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97933 |
Spacegroup name | P 1 |
Unit cell lengths | 47.006, 55.400, 58.044 |
Unit cell angles | 99.88, 97.09, 106.80 |
Refinement procedure
Resolution | 20.000 - 1.920 |
Rwork | 0.195 |
R-free | 0.20900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yln |
RMSD bond length | 0.005 |
RMSD bond angle | 1.287 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | COMO |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
Rmerge | 0.062 | 0.040 | 0.411 |
Number of reflections | 42107 | ||
<I/σ(I)> | 20.6 | ||
Completeness [%] | 97.8 | 98.8 | 96.6 |
Redundancy | 3.9 | 3.8 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 278 | 22% PEG 3350, 220mM Potassium acetate, 100mM Na-MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K |