C1 | C2 | C3 | C4 | |
---|---|---|---|---|
Data collection | ||||
Exposure time (s) | 0.02 | 0.02 | 0.02 | 0.02 |
Ω width (°) | 0.15 | 0.15 | 0.15 | 0.15 |
Transmission (%) | 2.90 | 0.80 | 1.52 | 2.90 |
Number of images | 600 | 2400 | 1200 | 600 |
Data processing | ||||
Crystal parameters | ||||
Space group | I213 | I213 | I213 | I213 |
Unit-cell parameters (Å) | a = b = c = 77.45 | a = b = c = 77.42 | a = b = c = 77.46 | a = b = c = 77.47 |
Data statistics | ||||
Resolution range (Å) | 38.72–1.60 (1.63–1.60) | 54.74–1.60 (1.63–1.60) | 38.73–1.60 (1.63–1.60) | 54.78–1.60 (1.63–1.60) |
No. of unique reflections | 10379 (526) | 10359 (517) | 10389 (521) | 10380 (526) |
Multiplicity | 9.4 (9.5) | 38.3 (38.5) | 19.1 (19.0) | 9.5 (9.6) |
R merge | 0.098 (2.400) | 0.191 (4.833) | 0.129 (3.081) | 0.099 (2.511) |
R meas | 0.103 (2.539) | 0.194 (4.897) | 0.132 (3.166) | 0.105 (2.654) |
R p.i.m. | 0.033 (0.823) | 0.031 (0.787) | 0.030 (0.724) | 0.034 (0.855) |
Completeness (%) | 100.0 (100.0) | 100.0 (100.0) | 100.0 (100.0) | 100.0 (100.0) |
〈I/σ(I)〉 | 12.4 (1.0) | 13.6 (0.8) | 14.0 (0.9) | 12.5 (0.8) |
CC1/2 | 0.999 (0.450) | 1.000 (0.474) | 1.000 (0.459) | 0.999 (0.379) |
d min for CC1/2 ≃ 0.5 (Å) | 1.58 | 1.56 | 1.56 | 1.59 |