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. 2023 Jan 1;79(Pt 1):40–49. doi: 10.1107/S205979832201186X

Table 3. Crystallographic data and refinement statistics.

  RBP-CPN RBP-CPC
PDB code 7qsq 7qsp
Wavelength (Å) 0.9184 0.9184
Resolution range (Å) 48.96–1.79 (1.86–1.79) 39.76–1.36 (1.40–1.36)
Space group P21 P212121
a, b, c (Å) 55.37, 62.77, 76.26 41.69, 41.97, 132.20
α, β, γ (°) 90, 102.1, 90 90, 90, 90
Total reflections 176181 (15604) 533879 (48154)
Unique reflections 47556 (4346) 50883 (4875)
Multiplicity 3.7 (3.6) 10.5 (9.9)
Completeness (%) 97.8 (85.5) 99.0 (96.7)
Mean I/σ(I) 8.58 (0.76) 13.93 (1.00)
Wilson B factor (Å2) 32.6 18.8
No. of molecules in asymmetric unit 4 2
Matthews coefficient (Å3 Da−1) 2.14 1.72
R merge 0.080 (1.324) 0.081 (1.907)
R meas 0.094 (1.548) 0.085 (2.008)
R p.i.m. 0.047 (0.788) 0.026 (0.616)
CC1/2 0.997 (0.413) 0.999 (0.322)
CC* 0.999 (0.765) 1.000 (0.698)
Reflections used in refinement 47294 (4102) 50883 (4875)
Reflections used for R free 2088 (181) 2100 (201)
R work 0.191 (0.370) 0.171 (0.353)
R free 0.239 (0.396) 0.210 (0.380)
CCwork 0.963 (0.685) 0.962 (0.605)
CCfree 0.952 (0.532) 0.938 (0.554)
No. of non-H atoms
 Total 4446 2308
 Macromolecules 4063 2073
 Solvent 315 199
No. of protein residues 510 248
R.m.s.d., bond lengths (Å) 0.003 0.012
R.m.s.d., bond angles (°) 0.57 1.23
Ramachandran favored (%) 98.4 99.2
Ramachandran allowed (%) 1.4 0.8
Ramachandran outliers (%) 0.2 0.0
Rotamer outliers (%) 1.4 1.4
Clashscore 5.16 4.82
Average B factor (Å2)
 Overall 40.0 25.9
 Macromolecules 39.2 24.6
 Solvent 46.5 35.9
No. of TLS groups 4 2