Table 1 Data collection and refinement statistics.
Structure-ID | CgMCA-ICa | CgMCA-IMg |
|---|---|---|
PDB entry | 7QP1 | 7QP0 |
Data collection | ||
Beamline | PXIII | PROXIMA1 |
Wavelength (Å) | 0.99999 | 0.97857 |
Space group | P32 | C2 |
Cell dimensions | ||
a, b, c (Å) | 97.4 97.4 54.6 | 95.7 83.6 87.8 |
α, β, γ (°) | 90.0 90.0 120.0 | 90.0 106.6 90.0 |
Resolution range (Å) | 40.0–3.0 | 40.0–1.6 |
Total reflections | 123226 | 303345 |
Unique reflections | 11590 | 87056 |
Rmeas (%) | 9.9 (101.1) | 10.3 (85.9) |
CC1/2 (%) | 99.9 (82.3) | 99.7 (76.0) |
I/σ(I) | 20.5 (2.5) | 8.44(1.84) |
Multiplicity | 10.6 (10.7) | 3.5 (3.4) |
Completeness (%) | 100 (100) | 99.6 (99.7) |
No. mol. /asymm. unit | 2 | 2 |
Refinement | ||
Rwork/Rfree (%) | 20.78/26.05 | 17.53/20.23 |
No. atoms | ||
Protein | 4014 | 4111 |
Ligand/ion | 4 | 36 |
Water | 7 | 627 |
Average B-factor (Å2) | ||
Protein | 93.2 | 25.6 |
Ligand/ion | 74.0 | 50.2 |
Water | 74.2 | 39.6 |
r.m.s.d. | ||
Bond lengths (Å) | 0.006 | 0.017 |
Angles (°) | 1.120 | 1.618 |
Ramachandran | ||
Favored (%) | 90.5 | 98.8 |
Allowed (%) | 8.7 | 1.2 |
Outliers (%) | 0.8 | 0.0 |
