Table 3.
Rmeas-based | I/σ-based | CC1/2-based | |
---|---|---|---|
Data collection | |||
Resolution (Å)b | 1.58-1.50 | 1.48-1.40 | 1.32-1.25 |
CC1/2 | 0.92 | 0.71 | 0.15 |
Average I/σ | 3.9 | 1.9 | 0.6 |
Rmeasc | 61% | 119% | 365% |
R/Rfree @1.5 Å (%)d | 14.5/17.6 | 14.7/17.6 | 15.3/17.6 (14.5/17.6)e |
Waters built | 237 | 253 | 251 (283) |
The pH 7.0 Cys-bound models were refined using the same automatic phenix.refine strategy which was used as the first step in refinement (see methods) against data truncated at 1.50 Å (based on Rmeas ~60%), 1.40 Å (based on I/σ ~2), or 1.25 Å (based on CC1/2 criteria)35.
The resolution range for the data used in refinement was 42 Å to the high resolution limit
the multiplicity-weighted merging R-factor55
Rcryst and Rfree of the indicated model calculated at 1.50 Å resolution
Numbers in parentheses are for the final refined model