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. 2022 Aug 15;13:4788. doi: 10.1038/s41467-022-32541-4

Table 1.

Data collection and refinement statistics

Data collection DLC1 RhoGAP + p120RasGAP SH3
PDB accession code 7TPB
Wavelength (Å) 0.97918
Resolution range (Å) 50–3.20 (3.31–3.20)
Space group H 3
Cell dimensions a, b, c (Å) 143.7, 143.7, 152.8
α, β, γ (°) 90, 90, 120
Unique reflections 19420
Multiplicity 9.1 (7.8)
Completeness (%) 100 (100)
Mean II 9.9 (1.6)
Wilson B factor (Å2) 80.4
Rpim (%) 9.0 (65.7)
CC½ 99.3 (33.2)
CC 99.8 (70.6)
Refinement
Resolution range (Å) 48.25–3.20 (3.37–3.20)
Reflections used in refinement 18492 (2658)
Reflections used for Rfree 920 (122)
% Reflections used for Rfree 4.7 (4.6)
Rwork (%) 21.2 (30.1)
Rfree (%) 26.0 (33.2)
No. of non-hydrogen atoms
Protein 8096
RMSD
Bond lengths (Å) 0.002
Bond angles (°) 0.474
Ramachandran plot
Favored, allowed, outliers (%) 99.2, 0.8, 0
Rotamer outliers (%) 0
MolProbity clashscore 5.7 (100th percentile)
Average B factor (Å2)
Overall 85.5
Copies A, C, E, G (SH3) 84.6, 92.8, 101.5, 105.7
Copies B, D, F, H (RhoGAP) 73.5, 80.6, 83.2, 91.2

Statistics for the highest resolution shell are shown in parentheses. RMSD root-mean-square deviation.