Table 1 Data collection and refinement statistics.
From: Structural intermediates and directionality of the swiveling motion of Pyruvate Phosphate Dikinase
5JVJ | 5JVL | 5JVN | |
|---|---|---|---|
Data collection | |||
Wavelength (Å) | 0.9799 | 0.9193 | 0.9763 |
Space group | C121 | P1 | P622 |
Cell dimensions | |||
a, b, c (Å) | 208.74, 69.04, 166.76 | 69.98, 108.44, 152.75 | 249.34, 249.34, 84.01 |
| 90, 112.84, 90 | 106.22, 101.81, 98.32 | 90, 90, 120 |
Resolution range (Å) | 30.74–2.898 (3.002–2.898) | 19.79–2.90 (3.003–2.90) | 49.54–2.90 (3.040-2.-90) |
| 0.1013 (0.4002) | 0.0965 (0.4446) | 0.089 (0.597) |
| 0.1231 (0.4847) | 0.1119 (0.5155) | 0.09513 (0.6552) |
| 0.0689 (0.2696) | 0.05663 (0.2604) | 0.03553 (0.2468) |
I/ | 11.18 (3.13) | 13.63 (3.21) | 13.9 (2.7) |
Wilson B (Å2) | 39.69 | 39.21 | 79.98 |
Completeness (%) | 98 (98) | 98 (99) | 100 (100) |
Multiplicity | 3.2 (3.2) | 3.9 (3.9) | 6.9 (6.8) |
Model and refinement | |||
Reflections (unique/test) | 48150/1227 | 90103/1874 | 34536/1695 |
| 23.7/26.1 | 21.2/23.2 | 20.0/23.5 |
No. of atoms | |||
Protein | 11928 | 23511 | 6518 |
Ligand/ion | 22 | 140 | 42 |
B-factors | |||
Protein | 59.21 | 46.99 | 90.41 |
Ligands | 29.62 | 28.59 | 116.36 |
RMSD | |||
Bonds lengths (Å) | 0.002 | 0.017 | 0.010 |
Bond angles (°) | 0.46 | 1.45 | 1.11 |
Ramachandran analysis | |||
Favored regions (%) | 96.8 | 98.3 | 96.7 |
Allowed regions (%) | 3.1 | 1.7 | 3.3 |
Outliers (%) | 0.1 | 0.0 | 0.0 |
, 
, 
(°)
/ 
(Å)