Table 1.
BR_20C (5VN7) | BR_4C (5VN9) | |||
---|---|---|---|---|
Data collection | ||||
Wavelength (Å) | 1.033 | 1.033 | ||
Number of crystals | 4 | 5 | ||
Resolution range (Å) | 28.52 - 2.70 (2.80 - 2.70) | 28.34 - 2.59 (2.69 - 2.59) | ||
Space group | R 3 | P 21 | ||
Unit cell, a b c (Å) α β γ (°) | 107.05 107.05 149.86 90 90 120 | 50.07 109.63 56.56 90 116.3 90 | ||
Total reflections | 51,454 (4,126) | 40,533 (1,396) | ||
Unique reflections | 17,181 (1,716) | 15,034 (833) | ||
Multiplicity | 3.0 (2.4) | 2.7 (1.7) | ||
Completeness (%) | 97 (96) | 90 (49) | ||
Mean I/sigma(I) | 7.4 (1.8) | 5.3 (1.7) | ||
Wilson B-factor (Å2) | 52.8 | 46.5 | ||
R-merge | 0.151 (0.645) | 0.143 (0.317) | ||
CC1/2 | 0.988 (0.476) | 0.987 (0.76) | ||
Refinement | ||||
R-work/ R-free | 0.196/0.225 | 0.223/0.265 | ||
Clashscore | 4.4 | 5.5 | ||
A | B | A | B | |
Number of non-hydrogen atoms | 1,748 | 1,740 | 1,766 | 1,746 |
protein | 1,728 | 1,720 | 1,735 | 1,720 |
retinal | 20 | 20 | 20 | 20 |
water | 0 | 0 | 11 | 6 |
Average B-factor | 51.8 | 67.5 | 39.3 | 36.4 |
protein | 51.9 | 67.5 | 39.4 | 36.5 |
retinal | 42.5 | 49.5 | 35.4 | 33.2 |
water | – | – | 38.1 | 33.7 |
RMS bonds (Å) | 0.004 | 0.003 | ||
RMS angles (°) | 0.64 | 0.58 | ||
A | B | A | B | |
Ramachandran favored (%) | 99.1 | 97.3 | 98.6 | 98.6 |
Ramachandran allowed (%) | 0.9 | 2.7 | 1.4 | 1.4 |
Ramachandran outliers (%) | 0 | 0 | 0 | 0 |