Table 1. Data collection, phasing, and refinement statistics for SAD (SeMet) TIN2TRFH-TPP1TBM-TRF2TBM structure.
SeMet TIN2TRFH-TPP1TBM-TRF2TBM | |
---|---|
Data collection | |
Space group | C2221 |
Cell dimensions | |
a, b, c (Å) | 46.222, 112.258, 121.209 |
α, β, γ (°) | 90, 90, 90 |
Se Peak | |
Wavelength (Å) | 0.97854 |
Resolution (Å) | 50-2.2 |
Rmerge | 0.101(0.472)* |
I/σI | 14.3(2.1) |
Completeness (%) | 99.8(99.7) |
Redundancy | 3.4(3.3) |
Refinement | |
Resolution (Å) | 32.8-2.2 |
No. of reflections | 16 341 |
Rwork/Rfree (%) | 19.5/22.7 |
No. of atoms | |
TIN2 | 1 539 |
TPP1 | 195 |
TRF2 | 101 |
Water | 72 |
B-factors (Å2) | |
TIN2 | 47.7 |
TPP1 | 57.9 |
TRF2 | 63.7 |
Water | 50.5 |
RMS deviations | |
Bond lengths (Å) | 0.004 |
Bond angles (°) | 0.600 |
*Values in parentheses are for the highest-resolution shell.