Table II. Statistics on data collection and phasing.
| Native | EMTS | |
|---|---|---|
| Data collectiona | ||
| resolution (Å) (outer bin) | 19–1.87 (1.97) | 19–1.85 (1.95) |
| Rmergeb | 0.073 (0.204) | 0.042 (0.283) |
| Rmeasc | 0.079 (0.220) | 0.052 (0.336) |
| <<I>/σ(<I>)> | 24.5 (8.7) | 29.4 (6.7) |
| completeness (%) | 99.8 (99.5) | 99.1 (95.2) |
| multiplicity | 7.4 (7.0) | 6.7 (5.9) |
| Wilson plot B (Å2) | 19 | 22 |
| MIR phasing | ||
| no. of sites | 1 | |
| Rderivd | 0.078 | |
| Rcullise | 0.92 | |
| phasing power: isomorphous (anomalous)f | 0.73 (0.91) | |
| mean figure of merit | 0.23 | |
| figure of merit after solvent flattening (all data) | 0.80 | |
| Refinement | ||
| R (Rfree)g | 0.185 (0.204) | |
| <B> (Å2) | 20 | |
| Nreflections (Nfree) | 11 944 (573) | |
| Natoms (Nwater) | 1090 (109) | |
| r.m.s.d. bond length (Å) | 0.013 | |
| r.m.s.d. bond angle (°) | 1.3 | |
| no. of Ramachandran violations | 0 | |
aValues in parentheses apply to the high resolution shell.
bRmerge = ΣΣi |Ih – Ihi|/ΣΣi Ih, where Ih is the mean intensity for reflection hi.
cRmeas = Σ √(n/n – 1)Σi |Ih – Ihi|/ΣΣi Ih, the multiplicity weighted Rmerge (Diederichs and Karplus, 1997).
dRderiv = Σ|FPH – FP|/ΣFP
eRcullis = Σ||FPH – FP| – |FHcalc||/Σ|FPH – FP|
fPhasing power = <|FHcalc|/phase-integrated lack of closure>.
gR = Σ|FP – Fcalc|/ΣFP