Table 2 Crystallographic data collection and refinement statistics
From: Dimethyl fumarate is an allosteric covalent inhibitor of the p90 ribosomal S6 kinases
Murine RSK2:DMF | |
|---|---|
Data collectiona | |
Space group | P41212 |
Cell dimensions | |
a, b, c (Å) | 47.0, 47.0, 291.9 |
α, β, γ (°) | 90, 90, 90 |
Resolution (Å) | 40–1.9 (2.0–1.9)b |
Rsym (%) | 4.5 (54.9) |
Rp.i.m. (%) | 1.3 (32.1) |
I/σI | 23.3 (2.3) |
Completeness (%) | 99.4 (96.5) |
Redundancy | 8.6 (8.5) |
Refinement | |
Resolution (Å) | 40–1.9 |
No. reflections | 27,094 |
Rwork/Rfree (%) | 20.5/25.0 |
No. atoms | |
Protein | 2428 |
Ligand/ion | 21 |
Water | 121 |
B-factors (Å–2) | |
Protein | 64.5 |
Ligand/ion | 80.7 |
Water | 62.6 |
R.m.s. deviations | |
Bond lengths (Å) | 0.009 |
Bond angles (°) | 1.44 |
