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. 2017 Mar 27;114(16):E3243–E3250. doi: 10.1073/pnas.1700731114

Table S1.

Data collection and refinement statistics

TBLR1-CTD MeCP2 NIDS
Data collection
 Beamline DLS I03
 Wavelength, Å 0.976250
 Resolution range (high-resolution shell)*, Å 49.6–2.5 (2.6–2.5)
 Space group P1
 Unit cell a, b, c; Å 42.6, 58.6, 155.1
 α, β, γ; ° 97.6, 91.2, 90.2
 Total reflections 120,672 (10,968)
 Unique reflections 50,648 (4,583)
 Multiplicity 2.4 (2.4)
 Completeness, % 98 (88)
 Mean II 9.9 (2.3)
 Wilson B-factor, Å2 33.5
 R-merge 0.08 (0.4)
 CC1/2 0.97 (0.69)
Refinement
 Reflections used in refinement 50,632 (4,583)
Rwork 0.20
Rfree 0.25
 No. of nonhydrogen atoms 10,400
 Protein 9,619
 Peptide 153
 Solvent 619
 rms, bonds 0.004
 rms, angles 0.72
 Ramachandran favored, % 95.3
 Ramachandran allowed, % 4.3
 Ramachandran outliers, % 0.4
 Clash score 7.1
 Average B-factor, Å2 50.2
 Protein, Å2 52.6
 Peptide, Å2 46.1
 Solvent, Å2 52.3
*

Statistics for the highest resolution shell are shown in parentheses.