Table 1. Data collection and refinement statistics.
| PikpNK-KE–AVR-PikD | PikpNK-KE–AVR-PikE | |
|---|---|---|
| Data collection statistics | ||
| Wavelength (Å) | 0.9763 | 0.9763 |
| Space group | P 21 21 21 | P 21 21 21 |
| Cell dimensions | ||
| a, b, c (Å) | 29.79, 65.33, 75.86 | 66.46, 80.70, 105.58 |
| Resolution (Å)* | 32.80–1.60 (1.63–1.60) | 29.50–1.85 (1.89–1.85) |
| Rmerge (%)# | 8.1 (97.1) | 5.2 (75.1) |
| I/σI# | 16.1 (2.6) | 31.0 (4.1) |
| Completeness (%)# | 100 (100) | 99.8 (97.8) |
| Unique reflections# | 20,294 (978) | 49337 (2963) |
| Redundancy# | 12.8 (13.3) | 18.3 (17.8) |
| CC(1/2) (%)# | 99.9 (86.6) | 100 (95.2) |
| Refinement and model statistics | ||
| Resolution (Å) | 32.82–1.60 (1.64–1.60) | 29.52–1.85 (1.90–1.85) |
| Rwork/Rfree (%)^ | 19.7/23.2 (25.5/27.3) | 18.6/23.0 (29.1/35.0) |
| No. atoms (Protein) | 1277 | 3604 |
| B-factors (Protein) | 25.6 | 39.7 |
| R.m.s. deviations^ | ||
| Bond lengths (Å) | 0.009 | 0.012 |
| Bond angles (°) | 1.5 | 1.4 |
| Ramachandran plot (%)** | ||
| Favored | 98.1 | 97.3 |
| Outliers | 0 | 0.2 |
| MolProbity Score | 1.41 (93th percentile) | 1.59 (91st percentile) |
*The highest resolution shell is shown in parenthesis.
#As calculated by Aimless, ^As calculated by Refmac5, **As calculated by MolProbity.