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. 2007 Aug 31;63(Pt 9):798–801. doi: 10.1107/S1744309107040134

Table 1. Data-collection statistics.

Values in parentheses are for the highest resolution shell.

  SeMet sSTT3 Native sSTT3 Native sSTT3 + L7/L12
Data collection      
 Space group P21212 P21212 C2221
 Unit-cell parameters (Å)      
   a 137.34 136.93 102.23
   b 266.60 265.29 106.04
   c 73.95 74.13 289.38
 Wavelength (Å) 0.97915 (peak) 0.96419 1.00000
 Resolution range (Å) 30–3.0 (3.1–3.0) 40–2.7 (2.8–2.7) 50–3.35 (3.5–3.35)
 No. of measured reflections 610027 458643 168317
 No. of unique reflections 55387 (5441) 75226 (7371) 23023 (2238)
 Completeness (%) 100.0 (100.0) 99.9 (99.4) 100.0 (100.0)
 Multiplicity 11.0 (11.1) 6.1 (5.8) 7.3 (7.5)
 Average I/σ(I) 7.4 (3.8) 12.4 (3.5) 7.8 (4.5)
  Rmerge† 0.136 (0.598) 0.081 (0.443) 0.127 (0.465)
 Mosaicity (°) 0.254 0.261 0.458
 Molecules per AU 4 4 2 (sSTT3) + 2 (L7/L12)
Phasing statistics      
 Se sites (found/all) 16/20    
 Phasing power (centric/acentric) 0.00/0.608    
 〈FOM〉 (after SOLVE/after SHARP) 0.298/0.737    
†

R merge = Inline graphic Inline graphic, where I i(hkl) is the observed intensity and 〈I i(hkl)〉 is the average intensity obtained from multiple observations of symmetry-related reflections.