Skip to main content
. 2016 Aug 24;7:12677. doi: 10.1038/ncomms12677

Table 1. Data collection and refinement statistics.

PDB code 5G28* (type A crystal) 5G54* (type B crystal) 5G2A* (Br ion crystal) 5G2D* (T102N) 5G2C* (T102D)
Data collection
 Space group C121 C121 C121 C121 C121
a, b, c (Å) 102.76, 49.40, 69.33 102.72, 49.43, 77.03 102.77, 48.85, 69.36 103.25, 49.45, 78.40 103.44, 50.03, 77.79
α, β, γ (°) 90, 109.85, 90 90, 131.16, 90 90, 110.13, 90 90, 131.89, 90 90, 131.47, 90
 Resolution (Å) 65.21–1.57 (1.62–1.57) 40.00–2.0 (2.05–2.0) 65.13–2.17 (2.21–2.17) 58.36–1.80 (1.83–1.80) 58.28–2.31 (2.34–2.31)
Rmerge (%) 11.1 (65.9) 10.2 (69.3) 5.9 (20.9) 7.0 (39.3) 6.0 (31.3)
I/σI 30.81 (4.23) 11.1 (1.65) 35.46 (7.59) 22.67 (2.57) 14.43 (1.86)
 Completeness (%) 97.4 (93.06) 99.3 (96.4) 99.0 (98.8) 97.1 (81.9) 94.5 (73.5)
 Redundancy 4.4 (2.7) 5.6 (4.9) 5.8 (3.9) 4.6 (2.4) 4.3 (2.0)
           
Refinement
 Resolution (Å) 65.21–1.57 40.0–2.0 65.13–2.17 58.36–1.80 58.28–2.31
 No. of reflections 42,520 18,695 16,316 25,345 11,889
Rwork/Rfree (%) 15.40/19.38 17.60/22.52 15.31/20.71 17.51/20.52 19.45/23.88
           
No. of atoms
 Protein 2,072 2,105 2,072 2,095 2,101
 Retinal 20 20 20 20 20
 Water 136 84 59 93 15
 Lipid fragments 99 101 108 108
 Chloride 2 2 2 2 1
           
B factors (Å2)
 Protein 23.82 19.03 29.22 22.87 29.27
 Retinal 15.57 11.06 21.66 17.02 22.14
 Water 39.86 34.65 40.69 40.63 37.52
 Lipid fragments 48.21 44.54 48.38 47.48
 Chloride ions 32.77 38.75 Br (67.85) 40.97 58.43
           
r.m.s. deviations
 Bond lengths (Å) 0.026 0.018 0.021 0.023 0.019
 Bond angles (°) 1.92 1.98 1.83 1.90 1.91
 Crystal size (μm) 50 × 50 × 50 30 × 30 × 30 50 × 50 × 50 50 × 50 × 50 50 × 50 × 50
 Radiation dose (MGy) 0.04 0.12 0.04 0.04 0.04

PDB, Protein Data Bank; r.m.s., root mean squared.

*Number of crystal used for data collection: 1.

Highest-resolution shell is shown in parenthesis.