Table 1: Data collection and refinement statistics for DimC33 Structures.

From: A covalent homodimer probing early oligomers along amyloid aggregation

 Structure (PDB entry)
DimC33-Low (4R9H)DimC33-High (4RAH)DimC33-ThT (4RA3)
Data collection
 Beam lineID23-1 (ESRF)ID23-1 (ESRF)P13 (PETRA III, MX1)
 Space GroupP4122C2221P3221
 Unit cell constants (Å)a = 68.84 b = 68.84 c = 200.04a = 32.35 b = 47.70 c = 119.65a = 80.0 b = 80.0 c = 177.7
 Resolution (Å)65.09–1.90 (2.00–1.90)29.91–1.40 (1.42–1.40)59.23–2.80 (2.95–2.80)
 Rmergea(%)10.9 (94.0)6.5 (49.5)5.9 (113.9)
 I/sig(I)12.4 (2.2)10.9 (1.9)21.4 (2.0)
 Completeness (%)99.9 (99.6)98.7 (86.6)100.0 (100.0)
 Redundancy8.9 (8.3)4.5 (3.4)9.6 (10.0)
 Unique reflections38985 (5533)18491 (787)16940 (2432)
Refinement
 Rworkb(%)21.1716.6217.07
 Rfreeb(%)24.7320.9420.64
 Rms Bond Length0.0130.0190.009
 Rms Bond Angle1.4021.9191.453
 Number of atoms348010213407
 Average B, all atoms (Å2)42.017.0114.0
 Average B, Thioflavin (Å2)102.8
Ramachandran plot
 Most favored region375 (98.68%)86 (100%)367 (94.83%)
 Allowed region4 (1.05%)0 (0%)20 (5.17%)
 Outliers1 (0.26%)0 (0%)0 (0%)
  1. Values in parenthesis are for the highest resolution shell.
  2. a where I is the observed intensity and is the average intensity.
  3. b for all data except 5% which were used for Rfree calculation.