Table 2. Crystallographic data collection and refinement statistics.
Data collection | |
Space group | P321 |
Cell dimensions | |
a, b, c (Å) | 102.85, 102.85, 60.00 |
α, β, γ (°) | 90, 90, 120 |
Resolution (Å) | 60–2.5 (2.63–2.5)* |
R merge (%) | 15.4 (94.9)* |
I/σI | 9.1 (3.0)* |
CC1/2 | 0.99 (0.64)* |
Completeness (%) | 98.7 (97.5)* |
Multiplicity | 5.4 (5.4)* |
Refinement | |
Resolution | 60–2.5 Å |
No. reflections | 12817 (623**) |
R work/R free | 19.16%/23.72% |
Number of atoms | |
Protein and retinal | 1827 |
Water | 19 |
Lipid fragments | 188 |
Sulfate ions | 10 |
Average B-factor (Å2) | |
Protein and retinal | 38.8 |
Water | 40.8 |
Lipid fragments | 53.5 |
Sulfate ions | 63.9 |
R.m.s. deviations | |
Bond lengths | 0.010 Å |
Bond angles | 1.7° |
* Values in parentheses are for the highest-resolution shell.
** Number of reflections that are not used for refinement (free reflections).