Table 1.
Data collection and refinement statistics of the dysferlin inner DysF domain
| Data collection | PDB 4CAI | PDB 4CAH |
|---|---|---|
| Wavelength (Å) |
1.037530 |
0.97718 |
| Space group |
P212121 |
P213 |
| Unit-cell parameters |
|
|
| a, b, c (Å) |
74.5, 77.47, 79.89 |
75.95, 75.95, 75.95 |
| α, β, γ (o) |
90, 90, 90 |
90, 90, 90 |
| Resolution range (Å) |
50-2.2 (2.27-2.20) |
53.7-1.9 (1.94-1.9) |
| Total number of observation |
78153 (6922) |
115092 (7574) |
| Total number unique |
24062 (2084) |
11803 (760) |
| Completeness |
99.8 (99.9) |
100.0 (100.0) |
| Multiplicity |
3.2 (3.3) |
9.8 (10) |
| <I/σ(I)> |
12.4 (2.3) |
30.5 (3.5) |
| CC(1/2) |
0.976 (0.758) |
1.00 (0.847) |
| Rmerge |
0.045 (0.466) |
0.044 (0.667) |
| Solvent content (%) |
56.8 |
53.0 |
| Molecule per ASU |
3 |
1 |
| Wilson B factor (Å2) |
42.2 |
31.05 |
|
Refinement |
|
|
| Resolution range (Å) |
44.57-2.2 |
53.7-1.9 |
| Rwork |
0.1858 (0.2457) |
0.1775 (0.1932) |
| Rfree |
0.2271 (0.3102) |
0.1908 (0.2283) |
| Reflection, working |
22764 |
11220 |
| Reflection, free |
1206 |
549 |
| Average B factor |
61.0 |
42.0 |
| Rmsd bond angle |
1.358 |
1.76 |
| Rmsd bond length (Å) |
0.011 |
0.015 |
|
Ramachandran Analysis |
|
|
| Preferred region (%) |
96.7 |
95.2 |
| Allowed region (%) |
2.4 |
2.9 |
| Outliers (%) | 0.9 | 1.9 |
Values in parentheses refer to the highest resolution shell.
Rmerge = Σ (I - < I>) / Σ < I > .
Rwork = Σ (|Fobs |- |Fcalc|)/ Σ|Fobs| for 95% of data. Rfree is the same equation for 5% of the data excluded from refinement.