Table 1 Data collection and refinement statistics
From: Functional role of PGAM5 multimeric assemblies and their polymerization into filaments
∆90 PGAM5 H105A/MM | ∆90 PGAM5 H105A | |
|---|---|---|
Data collection | ||
PDB ID | 6CNL | 6CNI |
Space group | P 21 21 21 | P 21 21 21 |
Cell dimensions | ||
a, b, c (Å) | 49.4, 242.5, 272.5 | 71.0, 72.0, 81.9 |
α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
Resolution (Å) | 48.6 – 2.6 (2.69 – 2.6) | 41.0–1.7 (1.76 – 1.7) |
Rsym or Rmerge | 19.8 (105.8) | 7.5 (76.0) |
I/σI | 7.2 (1.4) | 21.8 (2.3) |
Completeness (%) | 99.8 (99.9) | 99.7 (97.5) |
Redundancy | 5.0 (5.1) | 12.1 (7.8) |
Refinement | ||
Resolution (Å) | 48.6–2.6 (2.69–2.6) | 41.0–1.7 (1.76–1.7) |
No. of reflections | 509,660 (51,383) | 564,588 (35,185) |
Rwork/Rfree, % | 22.3/26.4 (30.9/33.6) | 17.1/19.7 (25.9/31.3) |
No. of atoms | ||
Protein | 18,643 | 2893 |
Ligand/ion | 31 | 16 |
Water | 199 | 308 |
B-factors | ||
Protein | 35.5 | 26.2 |
Ligand/ion | 30.5 | 25.8 |
Water | 31.8 | 37.4 |
R.M.S. deviations | ||
Bond lengths (Å) | 0.004 | 0.007 |
Bond angles (°) | 0.8 | 1.1 |
Ramachandran plot, % | ||
Favored | 97.8 | 99.4 |
Additional allowed | 2.2 | 0.00 |
