Table 6. Merging statistics for CDK2 for the full data set (four full rotations) one half and one quarter, the last as recommended by interpretation of R cp .
All data are processed to a fixed resolution limit of 1.3 Å to enable straightforward comparison. Though the R p.i.m. in the outer resolution shell improves slightly in the full data set, it is a long way short of the improvement which could be expected from the fourfold increase in multiplicity.
| Subset | 1-9600 | 1-4800 | 1-2400 |
|---|---|---|---|
| Crystal parameters | |||
| Space group | P212121 | P212121 | P212121 |
| Unit-cell a (Å) | 53.43 | 53.42 | 53.40 |
| Unit-cell b (Å) | 72.11 | 72.08 | 72.06 |
| Unit-cell c (Å) | 72.60 | 72.60 | 72.59 |
| Data statistics | |||
| Resolution range (Å) | 72.11–1.30 (1.32–1.30) | 72.60–1.30 (1.32–1.30) | 72.59–1.30 (1.32–1.30) |
| No. of unique reflections | 69717 (3410) | 69657 (3412) | 69610 (3395) |
| Multiplicity | 49.3 (48.4) | 24.6 (24.3) | 12.3 (12.1) |
| R merge | 0.056 (0.581) | 0.045 (0.416) | 0.040 (0.347) |
| R meas | 0.057 (0.588) | 0.046 (0.425) | 0.041 (0.362) |
| R p.i.m. | 0.008 (0.084) | 0.009 (0.085) | 0.012 (0.103) |
| Completeness (%) | 100.0 (99.4) | 100.0 (99.9) | 100.0 (99.4) |
| 〈I/σ(I)〉 | 39.2 (5.6) | 34.3 (5.0) | 26.1 (3.9) |
| CC1/2 | 1.000 (0.984) | 1.000 (0.978) | 1.000 (0.965) |