Table 2. Data-collection and processing statistics for the fast rotation experiment.
Values in parentheses are for the outer shell.
| Data set | lys_3 | lys_4 | lys_5 | lys_6 | lys_7 | lys_8 | lys_9 | lys_10 |
|---|---|---|---|---|---|---|---|---|
| Wavelength (Å) | 1.0332 | 1.0332 | 1.0332 | 1.0332 | 1.0332 | 1.0332 | 1.0332 | 1.0332 |
| Temperature (K) | 100 | 100 | 100 | 100 | 100 | 100 | 100 | 100 |
| EIGER detector | 1M | 1M | 1M | 1M | 1M | 1M | 1M | 1M |
| Detector distance (mm) | 50 | 50 | 50 | 50 | 50 | 50 | 50 | 50 |
| Resolution (Å) | 1.5 | 1.5 | 1.5 | 1.5 | 1.5 | 1.5 | 1.5 | 1.5 |
| Total rotation range (°) | 180 | 180 | 180 | 180 | 180 | 180 | 180 | 180 |
| Rotation range per image (°) | 0.00125 | 0.0125 | 0.025 | 0.05625 | 0.1125 | 0.225 | 0.45 | 0.9 |
| No. of images | 144000 | 14400 | 7200 | 3200 | 1600 | 800 | 400 | 200 |
| Exposure time (s) | 0.00125 | 0.00125 | 0.00125 | 0.00125 | 0.00125 | 0.00125 | 0.00125 | 0.00125 |
| Beam transmission† | 0.001 | 0.01 | 0.02 | 0.045 | 0.09 | 0.18 | 0.36 | 0.72 |
| Rotation speed (° s−1) | 1 | 10 | 20 | 45 | 90 | 180 | 360 | 720 |
| Space group | P43212 | P43212 | P43212 | P43212 | P43212 | P43212 | P43212 | P43212 |
| Unit-cell parameters | ||||||||
| a = b (Å) | 77.98 | 78.31 | 78.32 | 78.32 | 78.35 | 78.38 | 78.37 | 78.38 |
| c (Å) | 36.95 | 37.02 | 37.02 | 37.04 | 37.03 | 37.04 | 37.04 | 37.05 |
| α = β = γ (°) | 90 | 90 | 90 | 90 | 90 | 90 | 90 | 90 |
| Mosaicity (°) | 0.23 | 0.22 | 0.22 | 0.22 | 0.23 | 0.23 | 0.24 | 0.27 |
| No. of reflections | 248970 | 251327 | 251572 | 251909 | 251489 | 251726 | 253181 | 252979 |
| No. of unique reflections | 18845 | 19011 | 18994 | 18987 | 18965 | 18998 | 18979 | 18994 |
| Completeness (%) | 99.5 (97.9) | 99.2 (96.1) | 99.2 (96.1) | 99.3 (96.4) | 99.5 (97.6) | 99.6 (98.5) | 99.5 (98.1) | 99.5 (98.2) |
| Multiplicity | 13.2 (10.0) | 13.2 (9.9) | 13.2 (10.0) | 13.3 (10.0) | 13.3 (10.1) | 13.3 (10.0) | 13.3 (10.1) | 13.3 (10.0) |
| ISa | 24.2 | 22.4 | 22.1 | 21.2 | 21.9 | 19.3 | 15.4 | 11.9 |
| 〈I/σ(I)〉 | 23.8 (3.5) | 23.8 (3.4) | 22.7 (3.4) | 21.5 (2.8) | 22.2 (2.5) | 21.3 (2.4) | 20.1 (2.6) | 17.6 (2.5) |
| R meas (%) | 6.9 (50.4) | 6.8 (52.8) | 7.2 (53.8) | 7.5 (71.1) | 7.4 (86.2) | 7.7 (90.3) | 8.6 (93.0) | 10.2 (108.1) |
| CC1/2 (%) | 100 (77.4) | 99.9 (80.0) | 99.9 (78.4) | 99.9 (75.3) | 99.9 (75.9) | 99.9 (77.4) | 99.9 (76.3) | 99.8 (73.8) |
Beam transmission is presented as a fraction of the full beam (3.6 × 1012 photon s−1).