Table 1.
TFL1 | FT | |
---|---|---|
Unit-cell parameters (Å) | a=109.3, b=109.3, c=64.7, α=β=90°, γ=120° | a=54.0, b=61.5, c=66.8, α=75.2°, β=72.2°, γ=70.1° |
Space group | P321 | P1 |
Wavelength (Å) | 1.488 | 1.488 |
Resolution range (Å) | 50–1.8 | 20–2.6 |
No. of unique reflections | 41 659 (5116) | 21 870 (1944) |
Redundancy | 6.8 | 2.24 |
Completeness (%) | 100 (99.7) | 93.2 (66.2) |
Rmerge (%) | 10.9 (21.0) | 7.6 (17.0) |
I/(I) | 20.11 (5.51) | 12.05 (3.79) |
Refinement | ||
Resolution range (Å) | 42–1.8 (1.85–1.8) | 20–2.6 (2.66–2.6) |
Rcryst (%) | 18.4 (19.7) | 18.1 (22.4) |
Rfree (%) | 20.7 (25.8) | 22.6 (29.1) |
R.m.s.d., bond lengths (Å) | 0.016 | 0.012 |
R.m.s.d., bond angles (deg) | 1.539 | 1.400 |
No. of non-H protein atoms | 2682 | 5217 |
No. of solvent molecules | 402 | 195 |
Average B value (Å2) | ||
Main chain | 16.8 | 21.2 |
Side chain | 18.2 | 21.9 |
Solvent molecules | 39.4 | 37.4 |
Values shown in parenthesis are for the highest resolution shell. |