Table 1.
Crystallographic data collection and refinement statistics
| Δ100CdaA with AMP and c-di-AMP | Δ100CdaA-APO | Δ100CdaA_Y187A-APO | |
|---|---|---|---|
| Crystallographic data | |||
| Beamline | Petra III-P14, EMBL, Hamburg | Petra III-P14, EMBL, Hamburg | Petra III-P13, EMBL, Hamburg |
| Wavelength (Å) | 0.97620 | 0.97620 | 0.97625 |
| Resolution range (Å)a | 42.27–2.80 (2.90–2.80) | 45.89–2.00 (2.10–2.00) | 46.49–2.23 (2.33–2.23) |
| Unique reflections | 9,435 | 24,884 | 19,512 |
| Redundancy | 5.6 (5.7) | 7.1 (7.0) | 5.8 (4.2) |
| Completeness (%) | 93.0 (95.4) | 99.7 (98.5) | 97.1 (79.3) |
| Space group | H32 | P212121 | P212121 |
| a (Å) | 121.90 | 42.69 | 46.49 |
| b (Å) | 121.90 | 64.67 | 65.13 |
| c (Å) | 141.59 | 129.75 | 131.33 |
| Rmerge (%) | 10.9 (80.5) | 9.4 (119.0) | 8.0 (52.0) |
| I/σ (I) | 12.4 (1.9) | 13.6 (2.0) | 15.6 (2.8) |
| CC1/2 | 99.8 (72.6) | 99.9 (77.2) | 99.8 (80.5) |
| Refinement statistics | |||
| Rwork/Rfree | 0.1875/0.2337 | 0.1858/0.2245 | 0.1837/0.2258 |
| No. of atoms | 2453 | 2610 | 2740 |
| Average B-factor (Å2) | 58.0 | 47.6 | 39.8 |
| Root mean square deviation | |||
| Bonds Å | 0.003 | 0.008 | 0.006 |
| Angles (°) | 0.644 | 1.003 | 1.258 |
| Ramachandran plot | |||
| Favored (%) | 98.05 | 98.11 | 98.79 |
| Allowed (%) | 1.95 | 1.57 | 1.21 |
| Outlier (%) | 0.00 | 0.31 | 0. 00 |
| PDB codes | 6HVL | 6HVM | 6HVN |
a Values for the data in the highest-resolution shell are shown in parentheses.