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Table I.

Data collection and phasing statisticsa

NativeSeMet λ1SeMet λ2SeMet λ3
Wavelength (Å) 1.100 0.9795 0.9793 0.9567 
Resolution (Å) 2.50 2.70 2.90 2.90 
High resolution shell (Å) 2.59 to 2.50 2.80 to 2.70 3.00 to 2.90 3.00 to 2.90 
Unique reflections 10,656 8,597 6,869 6,895 
Redundancy 10.1 15.6 13.5 6.66 
Completeness (%) 99.6 (100.0) 99.6 (100.0) 97.7 (98.2) 97.6 (98.2) 
I/σ(I)〉 49.9 (6.8) 37.0 (6.1) 35.8 (7.7) 22.3 (4.3) 
Rsym (%) 6.2 (35.3) 7.9 (40.5) 8.6 (29.3) 8.0 (30.8) 
Anomalous difference (%)  4.81 5.80 5.40 
Phasing power (centrics/acentrics)  1.71/1.61 1.74/1.44 1.09/0.83 
NativeSeMet λ1SeMet λ2SeMet λ3
Wavelength (Å) 1.100 0.9795 0.9793 0.9567 
Resolution (Å) 2.50 2.70 2.90 2.90 
High resolution shell (Å) 2.59 to 2.50 2.80 to 2.70 3.00 to 2.90 3.00 to 2.90 
Unique reflections 10,656 8,597 6,869 6,895 
Redundancy 10.1 15.6 13.5 6.66 
Completeness (%) 99.6 (100.0) 99.6 (100.0) 97.7 (98.2) 97.6 (98.2) 
I/σ(I)〉 49.9 (6.8) 37.0 (6.1) 35.8 (7.7) 22.3 (4.3) 
Rsym (%) 6.2 (35.3) 7.9 (40.5) 8.6 (29.3) 8.0 (30.8) 
Anomalous difference (%)  4.81 5.80 5.40 
Phasing power (centrics/acentrics)  1.71/1.61 1.74/1.44 1.09/0.83 
a

Values for the highest resolution shell are shown in parentheses. Rsym = Σ|I − 〈I〉|/Σ〈I〉 where I is the observed intensity and 〈I〉 is the mean intensity of multiple observations of symmetry-related reflections. Phasing power = 〈|FH|〉/E where FH is the heavy atom structure factor amplitude and E is the residual lack-of-closure error. Overall figure-of-merit (20 to 2.90 Å): 58%.

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