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. 2012 Apr 17;68(Pt 5):521–530. doi: 10.1107/S0907444912004490

Table 2. Phasing and anomalous signal analysis of data collected at different wavelengths.

Data set A2 B1 C1 D1
Wavelength () 2.00 2.00 2.70 2.70
Data resolution () 50.002.70 50.002.70 50.002.95 50.003.20
Best heavy-atom searching resolution () 4.00 3.80 3.60 N/A
Best phasing resolution () 3.50 2.50 3.30 N/A
(%) 2.14 3.61
R anom 0.023 0.033 0.054 0.059
R p.i.m. § 0.015 0.033 0.049 0.051
R anom/R p.i.m 1.53 1.00 1.10 1.16
d/sig(d) 1.80 1.32 1.15 0.88
CC(all/weak)†† 47.40/23.42 30.16/9.55 35.79/11.22 34.19/10.83
‡‡ 66.56 69.73 70.90 74.04

= F anom/F P = (2N A/N P)1/2 (f A/Z eff), where N A is the number of anomalous scatterers, N P is the approximate total number of non-H atoms and Z eff is the effective atomic number (6.7 for non-H protein atoms).

R anom = 100Inline graphic Inline graphic.

§

R p.i.m. = 100Inline graphic Inline graphic.

Calculated in the 50.003.10 resolution range.

††

Correlation coefficient in SHELXD.

‡‡

Average phase difference between model phases and S-SAD experimental phases calculated by the program CPHASEMATCH in the CCP4 suite.