Table 1.
Data collection statistics | |
---|---|
Wavelength (Å) | 0.976 |
Space group | P 21 21 21 |
Cell dimensions a, b, c (Å) | 29.78, 53.78, 98.03 |
Resolution (Å)a | 98.03–1.90 (1.94–1.90) |
Rmerge (%) | 12.9 (112.9) |
I/σI | 12.4 (1.9) |
Completeness (%) | 100 (100) |
Unique reflections | 13,077 (811) |
Redundancy | 12.6 (11.1) |
CC(1/2) (%) | 99.9 (91.0) |
Refinement and model statistics | |
---|---|
Resolution (Å)a | 98.03–1.90 (1.95–1.90) |
Rwork/Rfree (%) | 19.6/23.3 (27.5/27.1) |
No. atoms | |
Protein | 2416 |
Water | 67 |
B-factors | |
Protein | 38.1 |
Water | 37.4 |
R.m.s deviations | |
Bond lengths (Å) | 0.015 |
Bond angles (°) | 1.661 |
Ramachandran plot (%)b | |
Favored | 98.0 |
Allowed | 2.0 |
Outliers | 0 |
MolProbity score | 1.39 (98th percentile) |
The highest resolution shell is shown in parentheses.
As calculated by MolProbity.