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Table 1 Data collection and refinement statistics for PDB entry 4TR9

From: Inhibition by stabilization: targeting the Plasmodium falciparum aldolase–TRAP complex

Beam line SSRL 12-2, micro focus
Wavelength (Å) 0.9795
Resolution range (Å) 44.85–2.11 (2.19–2.11)
Space group P 21 21 21
Unit cell (Å, °) 69.89 139.56 142.10 90 90 90
Total reflections 281,841 (1,566)
Unique reflections 49,244 (642)
Multiplicity 5.7 (2.4)
Completeness (%) 61.09 (8.08)
Mean I/sigma (I) 21.47 (1.04)
Wilson B-factor 36.99
R-merge 0.0702 (0.91)
R-meas 0.077
CC1/2 0.999 (0.654)
CC* 1 (0.889)
R-work 0.187 (0.282)
R-free 0.248 (0.289)
Number of non-hydrogen atoms 11,395
Macromolecules 10,889
Ligands 84
Water 422
Protein residues 1,416
RMS (bonds) 0.010
RMS (angles) 1.38
Ramachandran favoured (%) 94
Ramachandran outliers (%) 1
Clashscore 8.58
Average B-factor 46.50
Macromolecules 46.30
Ligands 59.70
Solvent 48.30
  1. Statistics for the highest-resolution shell are shown in parentheses.