Table_1.xls (9.5 kB)

Statistics for data collection, phasing, and model refinement.

dataset

posted on 2014-10-30, 03:58 authored by Mi Seul Park, Eduard Bitto, Kyung Rok Kim, Craig A. Bingman, Mitchell D. Miller, Hyun-Jung Kim, Byung Woo Han, George N. Phillips Jr

Data collected at the Sector 23-ID-D of the Advanced Photon Source.

Numbers in parentheses indicate the highest resolution shell of 20.

R_merge = Σ_h Σ_i |I(h)_i–<I(h)>|/Σ_h Σ_iI(h)_i, where I(h) is the observed intensity of reflection h, and <I(h)> is the average intensity obtained from multiple measurements.

Figure of merit = <|Σ P(α)e^iα/Σ P(α)|>, where α is the phase angle and P(α) is the phase probability distribution.

R_work = Σ | |F_o|–|F_c| |/Σ |F_o|, where |F_o| is the observed structure factor amplitude and |F_c| is the calculated structure factor amplitude.

R_free = R-factor based on 5.0% of the data excluded from refinement.

Statistics for data collection, phasing, and model refinement.