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. 2000 Dec 12;97(26):14103–14108. doi: 10.1073/pnas.250491797

Table 1.

Data collection and refinement statistics

Data collection statistics
 Space group P6322
 Cell parameters, Å a = b = 172.02, c = 276.57
 Resolution range, Å 25-2.8
 Unique/total reflections 59,863/706,383
 Redundancy 11.8
 Completeness, %* 99.8 (99.8)
 Rmerge (%) 12.0
Refinement and model statistics
R factor/Rfree 0.254/0.304
 Resolution range, Å 15-2.8
 Modeled residues HslV; (1–174) × 4
HslU; (1–139, 151–165, 218–443), (1–129, 221–443)
 Number of ligands 2 (AMP-PNP)
 Number of solvent molecules 293
 Rmsd bond lengths, Å 0.014
 Rmsd bond angles, ° 1.65
 Rmsd NCS protein, Å HslV (172 matching Cα); 0.26 (free), 0.24 (complexed)
HslU (333 matching Cα); 0.27

Rmsd, root-mean-square deviation. 

*

Values are for the reflections in the highest resolution shell (2.8–2.87 Å). 

Rmerge = ΣhΣi|I(h, i) − 〈I(h)〉|/ΣhΣiI(h, i), where I(h, i) is the intensity of the ith measurement of reflection h, and 〈I(h)〉 is the average value over multiple measurements. 

R = Σ∥Fo| − |Fc∥/Σ|Fo|, where Rfree is calculated for the 10% test set of reflections.