Table 1. Crystal and refinement statistics for GRK1-L166K.
Values in parentheses are for the highest resolution shell.
| Data-collection details | |
| Wavelength () | 0.99999 |
| Space group | I222 |
| Unit-cell parameters () | a = 55.5, b = 149.8, c = 190.9 |
| Temperature (K) | 100 |
| Resolution range () | 30.02.50 (2.592.50) |
| No. of observed reflections | 27804 (2732) |
| Completeness (%) | 99.5 (99.0) |
| Average multiplicity | 8.2 (8.1) |
| I/(I) | 27.9 (2.6) |
| R merge | 0.086 (0.792) |
| Refinement statistics | |
| No. of atoms/mean B factor (2) | |
| Protein atoms | 3988/26 |
| Mg2+ATP atoms | 32/19 |
| Water atoms and other ligands | 59/22 |
| Resolution range () | 29.602.50 (2.562.50) |
| No. of reflections used in refinement | 26394 (1759) |
| Final overall R factor | 0.209 |
| Final R work | 0.207 (0.334) |
| No. of reflections for R free | 1403 (85) |
| Final R free | 0.245 (0.406) |
| Cruickshank DPI† () | 0.3 |
| R.m.s. deviations from ideal geometry‡ | |
| Bond lengths () | 0.014 |
| Bond angles () | 1.5 |
| Density correlation coefficient (%) | 91.1 |
| MolProbity analysis | |
| Clashscore | 3.8 [99th percentile] |
| Protein geometry score | 1.9 [97th percentile] |
| Poor rotamers (%) | 3.7 |
| C deviations >0.25 | 0 |
| Residues with bad bonds (%) | 0 |
| Residues with band angles (%) | 0 |
| Ramachandran outliers (%) | 0 |
| Ramachandran favored (%) | 96 |