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. 2009 Sep 25;65(Pt 10):1056–1059. doi: 10.1107/S1744309109036239

Table 1. Summary of the Se-MAD crystallographic data of XC6012.

Values in parentheses are for the outermost shell.

  Inflection High remote Peak
Beamline NSRRC BL13B1
Wavelength (Å) 0.97910 0.97622 0.97884
Space group P21 P21 P21
Unit-cell parameters (Å, °) a = 58.84, b = 89.37, c = 87.35, β = 105.4 a = 58.84, b = 89.37, c = 87.35, β = 105.4 a = 58.84, b = 89.37, c = 87.35, β = 105.4
Resolution range (Å) 30–2.11 (2.19–2.11) 30–2.1 (2.18–2.1) 30–2.2 (2.28–2.2)
Unique observations 49875 (4940) 50523 (5020) 44136 (4415)
Redundancy 3.8 (3.4) 3.9 (3.4) 7.7 (7.0)
Completeness (%) 99.4 (98.6) 99.5 (99.0) 99.7 (99.8)
Rmerge (%) 5.6 (43.8) 3.9 (45.4) 5.5 (43.2)
I/σ(I) 20.0 (2.8) 21.2 (3.4) 32.8 (4.5)