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. 2010 Apr 30;66(Pt 5):595–600. doi: 10.1107/S1744309110011875

Table 2. Crystallographic refinement statistics for three aldolase complex structures.

Values in parentheses are for the highest resolution shell.

  RMA–LC4 RMA–WASP (2ot0) RMA–NASEP (2ot1)
Resolution (Å) 31–2.2 (2.28–2.2) 30–2.2 (2.3–2.2) 30–2.2 (2.26–2.2)
No. of reflections 91491 74498 72049
Rcryst 0.158 (0.233) 0.151 (0.249) 0.138 (0.156)
Rfree 0.194 (0.265) 0.191 (0.295) 0.180 (0.225)
R.m.s.d.      
 Bond lengths (Å) 0.008 0.01 0.01
 Bond angles (°) 1.03 1.03 1.04
Average B factors (Å2)      
 RMA 21.99 25.49 24.00
 Ligand 34.68 59.90 55.62
No. of atoms      
 Protein 10722 10744 10764
 Water 1809 1801 1863
 Ligand 455 157 101

R cryst = Inline graphic Inline graphic.

R free was calculated with the removal of 5% of the data as the test set at the beginning of refinement.