Table II.
Data Collection and Refinement Statistics for BbPstS
| PDB accession no. | 4N13 |
| Space group | P21 |
| Unit cell dimensions (Å) | |
| a | 32.3 |
| b | 84.6 |
| c | 42.9 |
| α, β, γ | 90, 105.6, 90 |
| Resolution (Å) | 42.3–1.30 (1.32–1.30) |
| Completeness (%) | 98.9 (98.5) |
| Multiplicity | 5.0 (4.9) |
| Unique reflections | 53,905 (2643) |
| Rsyma | 0.053 (0.465) |
| I/σI | 29.1 (4.2) |
| Wilson B (Å2) | 7.7 |
| Refinement | |
| Resolution (Å) | 41.4-1.3 |
| No. nonsolvent, non-H atoms | 2,223 |
| No. solvent atoms | 135 |
| No. sulfate atoms | 20 |
| Cutoff Fo/σFo | 0 |
| Maximum-likelihood coordinate error (Å) | 0.10 |
| Avg. B-factors | |
| Nonsolvent (Å2) | 12.4 |
| Solvent (Å2) | 20.2 |
| R-values | |
| Rwork | 0.138 |
| Rfree | 0.161 |
| Ramachandran statisticsb | |
| Outliers (%) | 0.0 |
| Most favored region (%) | 97.9 |
| r.m.s. deviations | |
| Bonds (Å) | 0.010 |
| Angles (°) | 1.3 |
Values in parentheses are for the highest resolution shell.
a
where the outer sum (h) is over the unique reflections and the inner sum (i) is over the set of independent observations of each unique reflection.
b
From MolProbity.34