Table 4. Merging statistics for data derived from the first insulin crystal, with digital transmission applied.
The data are indexed by the transmission factor from 1 to 
and the total rotation included (i.e. all 720°, first 360°, 180° and 90° of the data). Data sets in each row are in principle comparable, as the product of the rotation and transmission factor is constant.
|
− 720° |
 − 360° |
 − 180° |
1 − 90° | |
|---|---|---|---|---|
| Crystal parameters | ||||
| Space group | I213 | I213 | I213 | I213 |
| Unit-cell parameters (Å) | a = b = c = 78.13 | a = b = c = 78.12 | a = b = c = 78.12 | a = b = c = 78.12 |
| Data statistics | ||||
| Resolution range (Å) | 39.07–1.40 (1.42–1.40) | 55.24–1.40 (1.42–1.40) | 39.06–1.40 (1.42–1.40) | 39.06–1.40 (1.42–1.40) |
| No. of unique reflections | 15814 (803) | 15789 (777) | 15788 (777) | 15788 (777) |
| Multiplicity | 75.2 (64.1) | 37.6 (32.3) | 18.8 (16.1) | 9.4 (8.0) |
| R merge | 0.095 (2.555) | 0.074 (1.672) | 0.059 (1.105) | 0.049 (0.777) |
| R meas | 0.096 (2.576) | 0.075 (1.699) | 0.060 (1.141) | 0.052 (0.830) |
| R p.i.m. | 0.011 (0.321) | 0.012 (0.298) | 0.014 (0.283) | 0.017 (0.290) |
| Completeness (%) | 100.0 (100.0) | 100.0 (100.0) | 100.0 (100.0) | 100.0 (100.0) |
| 〈I/σ(I)〉 | 27.7 (1.8) | 25.7 (2.0) | 23.4 (2.1) | 20.2 (2.1) |
| CC1/2 | 1.000 (0.790) | 1.000 (0.797) | 0.999 (0.818) | 0.998 (0.813) |
|
− 720° |
− 360° |
1 − 180° | ||
| Crystal parameters | ||||
| Space group | I213 | I213 | I213 | |
| Unit-cell parameters (Å) | a = b = c = 78.13 | a = b = c = 78.12 | a = b = c = 78.11 | |
| Data statistics | ||||
| Resolution range (Å) | 39.07–1.40 (1.42–1.40) | 55.24–1.40 (1.42–1.40) | 55.23–1.40 (1.42–1.40) | |
| No. of unique reflections | 15814 (803) | 15789 (777) | 15781 (799) | |
| Multiplicity | 75.2 (64.0) | 37.6 (32.3) | 18.8 (16.2) | |
| R merge | 0.077 (1.790) | 0.061 (1.176) | 0.051 (0.777) | |
| R meas | 0.077 (1.804) | 0.062 (1.195) | 0.052 (0.802) | |
| R p.i.m. | 0.009 (0.225) | 0.010 (0.210) | 0.012 (0.199) | |
| Completeness (%) | 100.0 (100.0) | 100.0 (100.0) | 100.0 (100.0) | |
| 〈I/σ(I)〉 | 35.2 (2.7) | 32.2 (2.9) | 28.7 (3.1) | |
| CC1/2 | 1.000 (0.876) | 1.000 (0.880) | 0.999 (0.898) | |
|
− 720° |
1 − 360° | |||
| Crystal parameters | ||||
| Space group | I213 | I213 | ||
| Unit-cell parameters (Å) | a = b = c = 78.13 | a = b = c = 78.12 | ||
| Data statistics | ||||
| Resolution range (Å) | 55.25–1.40 (1.42–1.40) | 55.24–1.40 (1.42–1.40) | ||
| No. of unique reflections | 15815 (803) | 15789 (777) | ||
| Multiplicity | 75.1 (63.8) | 37.5 (32.2) | ||
| R merge | 0.064 (1.264) | 0.053 (0.834) | ||
| R meas | 0.064 (1.274) | 0.054 (0.847) | ||
| R p.i.m. | 0.007 (0.159) | 0.009 (0.149) | ||
| Completeness (%) | 100.0 (100.0) | 100.0 (100.0) | ||
| 〈I/σ(I)〉 | 43.6 (4.0) | 39.3 (4.2) | ||
| CC1/2 | 1.000 (0.928) | 0.999 (0.943) | ||
| 1 − 720° | ||||
| Crystal parameters | ||||
| Space group | I213 | |||
| Unit-cell parameters (Å) | a = b = c = 78.13 | |||
| Data statistics | ||||
| Resolution range (Å) | 39.06–1.40 (1.42–1.40) | |||
| No. of unique reflections | 15814 (803) | |||
| Multiplicity | 75.0 (63.4) | |||
| R merge | 0.055 (0.896) | |||
| R meas | 0.056 (0.903) | |||
| R p.i.m. | 0.006 (0.113) | |||
| Completeness (%) | 100.0 (100.0) | |||
| 〈I/σ(I)〉 | 53.2 (5.6) | |||
| CC1/2 | 1.000 (0.968) |