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. Author manuscript; available in PMC: 2014 Sep 3.
Published in final edited form as: Structure. 2013 Jul 25;21(9):1683–1689. doi: 10.1016/j.str.2013.07.001

Table 1.

Data collection and refinement statistics

Lgr4 Lgr4 Complex
Native (NH4)2PtCl4 (SAD) Lgr4/Rspo1
Resolution range (Å) 113.8 - 2.66 (2.8 - 2.66) 49.53 - 2.92 (3.08 - 2.92) 50 - 3.2 (3.31 - 3.2)
Space group C 2 2 21 P 4 21 2 C 2 2 21
Unit cell 60.29 158.582 227.609 90 90 90 152.615 152.615 111.458 90 90 90 103.379 160.923 82.216 90 90 90
Total reflections 202138 384476 51022
Unique reflections 31899 35527 11576
Multiplicity 6.3 (6.4) 13.1 (13.7) 4.4 (4.4)
Completeness (%) 99.76 (99.87) 99.31 (99.28) 98.34 (96.29)
Mean I/sigma(I) 12.57 (1.77) 16.32 (1.83) 10.00 (1.43)
Wilson B-factor 64.49 75.15 94.06
R-merge 0.088 (0.872) 0.096 (1.364) 0.087 (0.966)
R-work 0.2375 (0.3584) 0.2560 (0.3981)
R-free 0.2732 (0.4375) 0.2938 (0.4582)
Number of atoms 6807 4041
macromolecules 6601 4027
ligands 28 14
water 178 0
Protein residues 851 526
RMS(bonds) 0.005 0.003
RMS(angles) 1.18 1.00
Ramachandran favored (%) 97 92
Ramachandran outliers (%) 0 0
Clashscore 14.14 13.15
Average B-factor 66.60 70.60
macromolecules 66.80 70.50
ligands 75.80 93.40
solvent 58.90

Statistics for the highest-resolution shell are shown in parentheses.