Table 1.
Data collection and refinement statistics.
| EfPDT | DpNDT | |
|---|---|---|
|
| ||
| PDB code | 7M5H | 7O62 |
| Data collection Synchrotron source |
APS | ESRF |
| Beamline | 19ID | ID29 |
| Wavelength (Å) | 0.9794 | 0.9792 |
| Space group | F4132 | P212121 |
| Unit-cell parameters | a = b = c = 219.90 | a = 55.17; b = 86.37; c = 140.93 |
| α = β = γ = 90◦ | α = β = γ = 90◦ | |
| Resolution range (Å) No. of measured reflectionsa |
2.15–40 (2.15–2.19) 293,619(14346) |
2.40–46.98 (2.4–2.53) 357,582 (49,715) |
| No. of unique reflections | 25,312(1238) | 27,119 (3856) |
| Mean (I/σI) | 33.64 (3.1) | 14.8 (3.2) |
| Completeness (%) | 99.9 (99.9) | 99.9 (99.9) |
| Multiplicity B-factor (Wilson plot, Å2) |
11.6 (11.6) 35.97 |
13.2 (12.9) 42.1 |
| Rmeas (%); Rpim (%) | 7.9 (76.4); – | 10.4 (73.7); 2.9 (20.4) |
| Refinement Reflections used in refinement |
25,244 | 26,665 |
| Reflections used for Rfree | 1291 | 1342 |
| Protein | 2/2464 | 4/4171 |
| Others | 2/12 | 4/24 |
| Water | 244/244 | 20/20 |
| Rwork(%)/Rfree(%) | 17.5/21.7 | 20.3/26.1 |
| Rms deviation bond length (Å) | 0.001 | 0.012 |
| Rms deviation angles (◦) | 0.417 | 1.064 |
| Ramachandran | ||
| Favoured (%) | 98.72 | 93.8 |
| Allowed (%) | 1.28 | 4.7 |
a
Values for the highest resolution shell are given in parentheses.