TABLE 1.
Data collection statistics
| Parameterb | Value for data set |
|
|---|---|---|
| Native | Derivative | |
| X-ray source | ID 23-2 | X13 |
| Space group | P41212 | P41212 |
| Unit cell parameters (Å) | a = b = 62.5, c = 199.4 | a = b = 61.1, c = 192.1 |
| Wavelength (Å) | 0.873 | 0.801 |
| Resolution range (Å) | 50.0-2.5 | 50.0-2.6 |
| Highest resolution shell | 2.65-2.50 | 2.76-2.61 |
| Mosaicity | 0.18 | 0.26 |
| Mean I/σ(I) | 9.7 (2.0)a | 38.3 (10.6)a |
| Rfac (linear) (%) | 16.0 (77.8)a | 6.3 (27.3)a |
| Redundancy | 8.3 | 15.2 |
| Rmeas (%) | 17.0 (83.0)a | 6.5 (28.4)a |
| No. of observations | 215456 | 321582 |
| No. of unique reflections | 25792 | 21221 |
| Completeness (%) | 99.2 (95.1)a | 99.4 (96.5)a |
a
Numbers given in parentheses are from the highest resolution shell.
b
Rfac = [ΣhklΣi|Ii(hkl) − <I(hkl)>1)/ΣhklΣIi(hkl)], where Ii(hkl) is the intensity of the ith measurement of reflection (hkl) and <I(hkl)> is the average intensity. Rmeas = (Σhkl[1/N − 1]1/2Σi|Ii(hkl) − <I(hkl)>1)/ΣhklΣIi(hkl), where Ii(hkl) is the intensity of the ith measurement of reflection (hkl), <I(hkl)> is the average intensity, and N is the number of measurements (or redundancy).