TABLE 3.
Parameter | Result |
---|---|
Data collection statistics | |
Space group | P21 |
Cell parameters | a=47.91 b=169.99 c=50.49 β=115.62 |
Beamline | PF-BL5A |
Wavelength (Å) | 1.0000 |
Resolution (Å)b | 20.0–1.75 (1.85–1.75) |
Completeness (%) | 98.9 (95.4) |
I/σ (I) | 13.28 (2.06) |
Rmerge | 0.097 (0.747) |
Rpim | 0.041 (0.379) |
CC1/2 | 0.998 (0.803) |
Average redundancy | 5.8 (5.5) |
Refinement statistics | |
Resolution range (Å) | 19.6 to 1.75 |
No. of reflections used (free) | 72,673 (3,563) |
R factor | 0.196 |
Rfreec | 0.229 |
RMSD | |
Bonds (Å) | 0.007 |
Angles (°) | 0.815 |
Average B factor (Å2) | 23.1 |
Ramachandran plot statistics | |
Most favored (%) | 98 |
Additionally allowed (%) | 2 |
Generally allowed (%) | 0 |
Values in parentheses represent the highest resolution shell unless otherwise indicated. CC1/2, 50% correlation coefficient.
The highest-resolution shell is shown in parentheses.
Rfree is R with 5% of reflections sequestered before refinement.