Table 1 Data collection and refinement statistics.
From: Molecular mechanism of mitochondrial phosphatidate transfer by Ups1
SeMet-labeled Ups1/Mdm35 | Ups1–Mdm35 | Ups1/Mdm35–DHPA | |
|---|---|---|---|
Data collection | |||
Space group | P21 | C2 | P41 |
Cell dimensions | |||
a, b, c (Å) | 83.3, 130.7, 84.3 | 118.6, 68.3, 105.1 | 90.1, 90.1, 81.3 |
α, β, γ (°) | 90, 103.1, 90 | 90, 102.1, 90 | 90, 90, 90 |
Resolution (Å) | 50–2.90 | 50–1.50 | 50–3.36 |
Rsym or Rmerge | 0.074 (0.438)a | 0.084 (0.42) | 0.059 (1.09) |
I /σI | 31.7(4.2) | 37.7 (3.0) | 9.59 (1.05) |
Completeness (%) | 98.4 (97.0) | 98.6 (88.9) | 99.8 (99.8) |
Redundancy | 3.6 (3.6) | 3.6 (3.1) | 6.8 (6.9) |
Refinement | |||
Resolution (Å) | 50–2.90 | 50–1.50 | 50–3.36 |
No. of reflections | 39,282 | 129,414 | 9395 |
Rwork/Rfree | 20.0/24.8 | 16.4/20.2 | 27.2/29.7 |
No. of atoms | |||
Protein | 11,018 | 5610 | 3308 |
Ligand/ion | — | — | 44 |
Water | — | 811 | — |
B-factors | |||
Protein | 38.1 | 23.0 | 149.9 |
Ligand/ion | — | — | 163.8 |
Water | — | 35.1 | — |
R.m.s. deviations | |||
Bond lengths (Å) | 0.01 | 0.007 | 0.002 |
Bond angles (°) | 1.3 | 1.1 | 0.49 |
