Table 1

Statistics for data collection and scaling.

CrystalNative ANative BCCdAp-PuroMini-helix
Soak time (hours)2424
Soak concentration (μM)100100
Wavelength (Å)1.01.01.01.0
Observations1,571,1711,344,8772,590,7262,712,813
Unique284,533369,167367,284447,121
Redundancy5.53.67.06.0
Resolution limits (Å)70.0–3.270.0–3.070.0–3.070.0–2.8
(High-resolution bin)* (3.26–3.20)(3.05–3.00)(3.23–3.17)(3.08–3.02)
Completeness94.1 (96.0)98.9 (99.3)98.6 (99.9)99.6 (100)
I/σI14.6 (4.0)10.8 (3.1)11.0 (2.8)10.7 (2.9)
R merge 10.2 (40)11.5 (38)18.8 (84)14.3 (72)
Riso Native A6.8 (20.8)14.4 (25.2)
Riso Native B12.6 (27.4)17.5 (31.0)
  • * Statistics in parenthesis are calculated for the high-resolution bin used in map calculations, which, as indicated, was sometimes lower in resolution than the high-resolution bin used in data reduction.

  • Rmerge: ΣΣi|I(h)I(h)i|/ΣΣI(h)I, where I(h) is the mean intensity after reflection.

  • Riso: Σ|FPHFP|/ΣFPH, where FPH and FP are the soaked and the native crystal structure factor amplitudes, respectively.