Table 1 X-ray diffraction data collection and refinement statistics.
Heimdall2DGel/rActin (PDB code 7WHF) | Loki2DGel1/2rActin (PDB code 7WHG) | |
|---|---|---|
Data collection | ||
Crystal | P212121 | P21 |
a, b, c (Å) | 76.3, 100.4, 171.8 | 87.6, 72.1, 100.4 |
α, β, γ (°) | 90.0, 90.0, 90.0 | 90.0, 92.1, 90.0 |
Wavelength (Å) | 1.0 | 1.0 |
Resolution (Å)a | 20.0-2.10 (2.14-2.10) | 20.0-3.25 (3.4-3.25) |
Rmerge | 6.1 (65.1) | 16.5 (118.9) |
Rmeas | 6.7 (71.4) | 18.3 (132.6) |
Rpim | 2.7 (28.6) | 7.7 (57.8) |
I/σ(I) | 24.7 (1.7) | 10.5 (1.4) |
CC1/2 | 0.954 (0.827) | 0.887 (0.523) |
Completeness (%) | 95.3 (75.3) | 100.0 (99.8) |
Redundancy | 5.9 (5.3) | 5.5 (5.1) |
Refinement | ||
Resolution (Å) | 20.0-2.10 (2.13-2.10) | 20-3.25 (3.46-3.25) |
No. reflections | 63047 (1312) | 17387 (1504) |
Rwork / Rfree | 16.5/21.6 (21.7/29.3) | 17.5/23.2 (24.5/32.4) |
No. atoms* | ||
Protein | 5551 (A)/3597 (G) | 5799 (A)/1745 (G) |
Ligand/ion | 74 (ATP, GOL)/18 (Ca2+) | 54 (ADP)/9 (Ca2+) |
Water | 553 | 0 |
B factors | ||
Protein | 19.6/24.9 | 33.5/37.0 |
Ligand/ion | 15.2/11.3 | 26.0/18.9 |
Water | 33.6 | 36.9 |
r.m.s deviations | ||
Bond lengths (Å) | 0.013 | 0.011 |
Bond angles (°) | 1.37 | 1.31 |
Ramachandran Plot | ||
Favored (%) | 98 | 96 |
Outliers (%) | 0 | 1 |
