Table S1.
Statistic | hTRAP1N-ADPNP | apo hTRAP1N |
Data collection | ||
Space group | C 2221 | P 3221 |
Cell dimensions | ||
a, b, c, Å | 92.57, 143.17, 103.01 | 65.25, 65.25, 233.37 |
α, β, γ, ° | 90.0, 90.0, 90.0 | 90.0, 90.0, 120.0 |
Resolution, Å | 29.41–1.85 (1.88–1.85) | 77.79–1.82 (1.85–1.82) |
Rsym or Rmerge | 0.055 (0.527) | 0.053 (0.486) |
I/σI | 14.9 (8.4) | 14.0 (3.75) |
Completeness, % | 98.5 (98.0) | 99.4 (99.6) |
Redundancy | 7.9 (7.9) | 6.7 (7.0) |
Refinement | ||
Resolution, Å | 29.41–1.85 | 77.79–1.82 |
No. of reflections | 54,569 | 52,606 |
Rwork/Rfree | 0.176/0.203 | 0.182/0.215 |
No. of atoms | 4,015 | 3,570 |
Protein | 3,443 | 3,162 |
Ligand/ion | 64 | 0 |
Water | 508 | 408 |
B factors | 24.7 | 22.8 |
Protein | 25.7 | 21.6 |
Ligand/ion | 8.8 | N/A |
Water | 20.4 | 32.5 |
rmsd | ||
Bond lengths, Å | 0.003 | 0.007 |
Bond angles, ° | 0.656 | 0.835 |
Each dataset was collected from a single crystal. Values in parentheses are for the highest-resolution shell. N/A, not applicable.