TABLE 1.
Data collection and refinement statistics
| Apoprotein | D2R peptide complex | NCS1-CT | GRK1 peptide complex | |
|---|---|---|---|---|
| Space group | P21 | P 41212 | P 212121 | P 21 |
| Unit cell parameters | a = 53.91 Å, b = 55.49 Å, c = 77.36 Å, β = 94.4o | a = 44.67 Å, b = 44.67 Å, c = 205.52 Å | a = 72.68 Å, b = 88.80 Å, c = 100.67 Å | a = 40.69 Å, b = 93.69 Å, c = 55.71 Å, β = 92.3o |
| X-ray source and wavelength ( Å) | DLSa I03 (0.9763) | DLS I04-1 (0.9173) | DLSa I02 (0.9795) | DLS I03 (0.9000) |
| Resolution range (Å) | 54–1.95 (2.06–1.95)b | 51–2.19 (2.25–2.19) | 66–2.8 (2.95–2.80) | 48–2.30 (2.36–2.30) |
| Multiplicity | 2.3 (2.2) | 5.4 (2.8) | 3.2 (3.0) | 3.3 (2.6) |
| Significance (〈I〉/σ(I)) | 8.7 (3.6) | 15 (2.4) | 5.4 (2.3) | 15.8 (2.2) |
| No. of unique reflections | 32,357 | 11,235 | 16,258 | 18,488 |
| Completeness (%) | 96.9 (97.3) | 97.1 (77.8) | 98.0 (98.2) | 99.2 (94.3) |
| Rmerge (%)c | 8.8 (41.2) | 7.2 (49.7) | 12.4 (37.4) | 4.3 (36.6) |
| Refinement statistics | ||||
| Rcryst | 22.5 | 21.7 | 24.6 | 22.6 |
| Rfree | 25.3 | 25.6 | 29.1 | 25.5 |
| Non-hydrogen atoms | ||||
| All | 2,941 | 1,720 | 5,214 | 3,022 |
| Water | 141 | 30 | 16 | 26 |
| Mean overall B (Å2) | 24.7 | 40.4 | 50.9 | 46.6 |
| Root mean square deviations from ideal values | ||||
| Bond distance ( Å) | 0.010 | 0.006 | 0.003 | 0.002 |
| Bond angle (degrees) | 1.2 | 0.91 | 0.747 | 1.2 |
a Diamond light source.
b Values in parentheses refer to the outer resolution shell.
c Rmerge = ΣhklΣsym|I − 〈I〉|/ΣhklI.