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. 2014 Jul 10;42(14):9447–9460. doi: 10.1093/nar/gku578

Table 1. Data collection and refinement statistics.

Data collection
Data set SAD Native
Beamline SLS PXIII SLS PXII
Space group P212121 P212121
Unit cell parameters (Å) a = 61.6, b = 80.0, c = 124.1 a = 62.1, b = 80.7, c = 124.7
Wavelength (Å) 0.98 0.99
Resolution Range (Å) a 49.0–3.3 (3.5–3.3) 49.3–2.1 (2.2–2.1)
Unique reflections 9829 37 397
Multiplicity 38.7 6.4
Completeness (%) a 99.8 (98.9) 100.0 (99.8)
I/σ(I) a 21.2 (5.6) 13.8 (2.9)
Rsym (%)a 21.8 (85.5) 6.0 (57.3)
Inline graphic 0.99 (0.95) 0.99 (0.65)
Refinement
Resolution Range 49.3–2.1
Rfree (%) 23.7
Rwork (%) 20.6
r.m.s.d. bond (Å) 0.008
r.m.s.d. angle (º) 1.08
B-factor protein (Å2) 48.0
Ramachandran values b
Favored (%) 98.0
Allowed (%) 2.0
Outliers (%) 0

aParantheses indicate values in outermost shell.

bValues were calculated using the program Molprobity (55).