Table 1 Data collection and refinement statistics
From: Structural basis of AMPK regulation by adenine nucleotides and glycogen
p-AMPK | AMPK | KD-AID | |
|---|---|---|---|
PDB code | |||
Data collection | |||
Space group | P3221 | P3221 | I4122 |
Cell dimensions | |||
a, b, c (Å) | 132.6, 132.6, 195.4 | 126.9, 126.9, 188.8 | 119.5, 119.5, 215.6 |
α, β, γ (°) | 90, 90, 120 | 90, 90, 120 | 90, 90, 90 |
Resolution (Å) | 30-4.05 (4.19-4.051) | 30-4.6 (4.68-4.6) | 30-2.95 |
Rmerge (%) | 18.6 (63.91) | 9.9 (69.0) | 9.6 (76.0) |
I/σI | 7.6 (2.01) | 20.0 (3.4) | 32.2 (3.9) |
Completeness (%) | 99.3 (93.01) | 100.0 (100.0) | 100.0 (100.0) |
Redundancy | 13.1 (5.01) | 8.2 (8.5) | 17.3 (16.9) |
Refinement | |||
Resolution (Å) | 30-4.05 | 30-4.6 | 30-2.95 |
No. reflections | 16 566 | 10 260 | 14 927 |
Rwork/Rfree (%) | 22.5/25.9 | 19.8/24.4 | 23.0/27.5% |
No. atoms in asu | |||
Protein | 7 607 | 6 502 | 5 291 |
Ligand/ion | 196 | 102 | 0 |
Water | 0 | 0 | 21 |
B-factors | |||
Protein | 143.6 | 230.3 | 64.4 |
Ligand/ion | 129.7 | 160.0 | NA |
Water | NA | NA | 58.6 |
r.m.s. deviations | |||
Bond lengths (Å) | 0.005 | 0.004 | 0.009 |
Bond angles (°) | 0.964 | 0.916 | 1.58 |
