Table 1.
Data collection and refinement statistics
| PKG Iβ CNB-B: Rp-cGMPS | |
|---|---|
| Data collection | |
| Wavelength (Å) | 0.97741 |
| Space group | P 21 21 21 |
| Cell dimensions | |
| a,b,c (Å) | 39.9, 54.3, 56.4 |
| α,β,δ (°) | 90.00 90.00 90.00 |
| Resolution (Å) | 39.8-1.29 |
| Rsym or Rmerge | 0.050 (0.470) |
| I/σI | 18.4 (2.9) |
| CC1/2a,b | 0.999 (0.915) |
| Completeness (%) | 99.8 (99.9) |
| Redundancy | 8.0 (7.0) |
| Refinement | |
| Resolution (Å) | 32.577-1.285 |
| No. reflections | 31845 |
| Rwork/Rfreec | 0.182/0.167 |
| No. atoms | |
| Proteins | 1937 |
| Ligand/ion | 70 |
| Water | 141 |
| B-factors | |
| Protein | 19.7 |
| Ligand/ion | 32.2 |
| Water | 30.2 |
| r.m.s.d deviations | |
| Bond lengths (Å) | 0.008 |
| Bond angles (°) | 1.0 |
| PDB ID | 5L0N |
a
Highest resolution shell is shown in parenthesis.
b
CC1/2, Pearson correlation coefficient.
c
5.0% of the observed intensities was excluded from refinement for cross validation purposes.
d
r.m.s., root mean square.