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. 2015 Oct 31;71(Pt 11):2267–2277. doi: 10.1107/S1399004715016429

Table 1. Data-collection and refinement statistics.

Values in parentheses are for the highest resolution bin.

  AadA (SeMet) AadA (native)
Data collection
Space group P21212 P21212
Unit-cell parameters (, ) a = 49.0, b = 104.6, c = 58.8, = = = 90 a = 48.6, b = 104.6, c = 58.6, = = = 90
Resolution range () 20.02.7 (2.802.70) 39.02.5 (2.652.50)
Wavelength () 0.9793 1.000
Unique reflections 14255 10853
Completeness (%) 99.1 (100) 99.7 (98.5)
Multiplicity 3.77 (3.87) 7.05 (7.14)
R meas (%) 8.1 (70.6) 8.1 (94.7)
I/(I) 12.6 (2.0) 17.0 (2.1)
Refinement
Resolution range ()   39.02.5
Reflections (test set)   522
No. of atoms
Protein   2052
Water   36
R work/R free (%)   22.6/26.6
Average B factor (2)   57.3
R.m.s.d. from ideal
Bond lengths ()   0.005
Bond angles ()   1.09
Ramachandran plot
Preferred (%)   95.4
Allowed (%)   3.5
Outliers (%)   1.2

Friedel pairs were merged for the native data set.