TABLE I.
Data Collection Parameters
| Wavelength (Å) | Resolution range (Å) | No. of reflections measured (unique) | % complete | Redundancy | I/σ (I) | Rmergea (%) | f | f′ | |
|---|---|---|---|---|---|---|---|---|---|
| MAD | λ1 = 0.97918 (peak) | 100–2.94 | 78049 (11476) | 92.4 (38.6) | 6.80 (4.85) | 21.03 (3.92) | 9.4 (53.6) | –5.625 | 8.934 |
| λ2 = 0.97931 (infl.) | 100–2.93 | 77275 (11516) | 92.5 (38.7) | 6.72 (4.57) | 19.28 (3.64) | 9.1 (55.9) | –7.175 | 6.142 | |
| λ3 = 1.03320 (remote) | 100–2.99 | 47843 (11344) | 96.9 (88.5) | 4.24 (3.79) | 22.23 (4.16) | 6.1 (38.2) | –2.180 | 0.670 | |
| WT | λ = 1.00776 | 100–2.30 | 161118 (25125) | 99.4 (96.9) | 6.36 (4.23) | 26.77 (3.21) | 7.4 (42.1) | — | — |
a
Rmerge = Σ|I – 〈I〉|/ΣI, where I is the intensity of an individual measurement and 〈I〉 is the average intensity from multiple observations.
Data in parentheses typically indicate values for last resolution shell.