Table 1.
Data collection statistics | |
Space group | P 31 2 1 |
Unit cell parameters a, b, c (Å) | 60.0, 60.0, 142.6 |
Unit cell parameters α, β, γ | 90°, 90°, 120° |
Wavelength (Å) | 0.9791 |
Resolution range (Å) | 19.47-2.35 (2.434-2.35) |
Total Reflections | 125766 (12111) |
Unique Reflections | 12955 (1263) |
Redundancy | 9.7 (9.6) |
Completeness (%) | 99.39 (99.92) |
I/σ(I) | 27.98 (1.26) |
Wilson B-factor (Å2) | 72.37 |
Rmerge | 0.0443 (1.621) |
Rmeas | 0.04684 (1.713) |
Rpim | 0.01498 (0.549) |
CC1/2 | 1 (0.573) |
CC* | 1 (0.854) |
Refinement statistics | |
Rfree (%) | 25.99 (38.38) |
Rwork (%) | 25.06 (36.04) |
Reflections (work/test sets) | 12948/640 |
R.m.s.d. bonds (Å)/angles | 0.005/0.77 |
Average B-factor (Å2) | 96.46 |
MolProbity validation | |
Ramachandran plot favored | 100% |
Ramachandran plot allowed outliers | 0% |
Ramachandran plot outliers | 0% |
Rotamer outliers | 0.85% |
Clash score | 1.83 |
The statistics for the high-resolution shell are shown in parenthesis.