B1 | B2 | B3 | B4 | |
---|---|---|---|---|
Data collection | ||||
Exposure time (s) | 0.02 | 0.02 | 0.02 | 0.02 |
Ω width (°) | 0.15 | 0.15 | 0.15 | 0.15 |
Transmission (%) | 1.52 | 2.90 | 0.80 | 1.52 |
Number of images | 1200 | 600 | 2400 | 1200 |
Data processing | ||||
Crystal parameters | ||||
Space group | I213 | I213 | I213 | I213 |
Unit-cell parameters (Å) | a = b = c = 77.47 | a = b = c = 77.47 | a = b = c = 77.50 | a = b = c = 77.51 |
Data statistics | ||||
Resolution range (Å) | 38.74–1.60 (1.63–1.60) | 38.74–1.60 (1.63–1.60) | 38.75–1.60 (1.63–1.60) | 54.81–1.60 (1.63–1.60) |
No. of unique reflections | 10379 (526) | 10379 (526) | 10389 (521) | 10390 (521) |
Multiplicity | 19.4 (19.5) | 9.7 (9.8) | 38.8 (39.0) | 19.4 (19.5) |
R merge | 0.142 (1.582) | 0.104 (1.186) | 0.220 (2.663) | 0.142 (1.732) |
R meas | 0.146 (1.624) | 0.110 (1.252) | 0.223 (2.698) | 0.146 (1.778) |
R p.i.m. | 0.033 (0.366) | 0.035 (0.399) | 0.036 (0.430) | 0.033 (0.401) |
Completeness (%) | 100.0 (100.0) | 100.0 (100.0) | 100.0 (100.0) | 100.0 (100.0) |
〈I/σ(I)〉 | 12.2 (1.7) | 11.2 (1.7) | 11.4 (1.1) | 12.5 (1.6) |
CC1/2 | 0.999 (0.767) | 0.999 (0.691) | 0.999 (0.701) | 0.999 (0.748) |
d min for CC1/2 ≃ 0.5 (Å) | 1.45 | 1.47 | 1.47 | 1.48 |