Table 1.
Crystallographic statistics
| Data collectiona | |||||||
| Data set | Resolution (Å) | Observed reflections | Unique reflections | Mean redundancy | 〈l/σ (I)〉 | Completeness (%) | Rsym (%) |
| GPC | 20.0–1.75 | 1,272,637 | 265,645 | 4.8 | 16.1 (1.8) | 96.8 (84.2) | 5.6 (37.0) |
| DiC3PC | 20.0–1.80 | 1,048,080 | 244,757 | 4.3 | 14.6 (1.9) | 91.6 (83.0) | 6.4 (36.0) |
| Refinementb | |||||||||
| Data Set | Resolution (Å) | Reflections (N) | R/Rfree (%) | No. atoms | B values | Rms bonds (Å) | Rms angles (°) | Deviations B bonds | Deviations values angles |
| a Data sets were collected at beamline X4a at the National Synchrotron Light Source. The energy of the incident X-rays was 0.9669 eV, and the data were collected at 110 K using a R-Axis4 area detector. In the 〈l/σ (I)〉 Completeness, and Rsym columns the numbers in parentheses are for the highest resolution bins (1.83–1.75 Å and 1.88–1.80 Å for GPC and DiC3PC respectively). Rsym = ∑|I - 〈I〉|/∑ 〈I〉. | |||||||||
| b R = ∑||Fo| - |Fc||/∑|Fo|. For the calculation of Rfree, 5% of the data was withheld from the refinement. In the No. Atoms column, the first, second, and third numbers indicate the number of protein, water, lipid, and chloride atoms, respectively. For the B values column, the set of five numbers, in order, gives the B values of the main chain, side chain, water, lipid, and chloride atoms. | |||||||||
| GPC | 20.0–1.75 | 256,100 | 23.0/26.9 | 16,415/1180 182/7 | 22.0/23.3 34.3/39.5 36.1 | 0.011 | 1.62 | 1.048 | 1.742 |
| DiC3PC | 20.0–1.80 | 223,515 | 21.0/25.1 | 16,415/1044 112/7 | 24.1/26.0 34.3/51.9 40.9 | 0.011 | 1.66 | 1.480 | 2.373 |