. 2007 Oct 31;1(1):e1. doi: 10.1371/journal.pntd.0000001

Table 1. Data Collection and Reduction Statistics for DTDA treated TcTIM.

Data collection and reduction
Space group	P2₁2₁2₁
Unit cell dimension (Å)	a = 43.21, b = 75.34, c = 146.43
Total number of reflections	82720
Unique reflections	23141
Resolution (Å)	2.15
Completeness (%)	91.0
R_merge (%)	9.3
Vm (Å^3.Da⁻¹)	2.3
Redundancy	3.4
Refinement
Protein atoms/ligand atoms/water molecules	3850/92/268
Modified Cys residues with DTBA	2 (C118A and C118B)
Resolution range for refinement (Å)	41.45–2.15
Number of reflections (refinement)	23141 (1248 Rfree)
R/R_free	0.197/0.250
RMS deviation (bond/angle/torsion)	0.022 Å/1.9°/18.5°

R = Σ|Fo-Fc|/ΣFo, summed over all hkl's