Table 1. Data collection and refinement statistics.
GspCHR–GspDN0-N1 | GspCHR–GspDN0-N1-N2–Nb3 | GspCHR–GspDN0-N1–Nb3 | |
Data collection | |||
Wavelength (Å) | 0.97946 | 0.97973 | 0.97946 |
Space group | P212121 | P6122 | P6422 |
Unit cell dimensions | |||
a, b, c (Å) | 45.50, 76.81, 85.77 | 142.20, 142.20, 188.09 | 156.57, 156.57, 71.67 |
α, β, γ (deg) | 90, 90, 90 | 90, 90, 120 | 90, 90, 120 |
Resolution (Å) | 42.88–2.63 (2.77–2.63)a | 43.93–4.05 (4.27–4.05) | 41.69–4.00 (4.22–4.00) |
Completeness (%) | 99.9 (99.9) | 99.8 (99.7) | 99.9 (100) |
Redundancy | 3.9 (3.9) | 7.7 (7.8) | 7.7 (7.6) |
R merge (%) | 13.5 (84.3) | 8.5 (88.2) | 15.9 (94.6) |
I/σ(I) | 11.0 (2.1) | 16.7 (2.8) | 10.0 (2.3) |
Refinement | |||
Resolution (Å) | 42.88–2.63 | ||
R work/R free (%) | 21.3/26.5 | ||
No. of reflections | 8942 | ||
No. of atoms | 1775 | ||
B factor (Å2) | 31.2 | ||
R.m.s. deviations | |||
Bond lengths (Å) | 0.013 | ||
Bond angles (deg) | 1.314 | ||
Ramachandran values b | |||
Favoured (%) | 98.2 | ||
Allowed (%) | 1.8 |
Values in parenthesis are for the highest resolution shell.
Molprobity [73], http://molprobity.biochem.duke.edu/.