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. Author manuscript; available in PMC: 2018 May 2.
Published in final edited form as: Structure. 2017 Apr 13;25(5):739–749.e3. doi: 10.1016/j.str.2017.03.009

TABLE 1. Data statistics at different resolution cutoffs.

A) Table of values for core mutant structures at different maximal resolutions. Completeness, CC1/2 and I/σ are shown for the high resolution bin at each resolution cutoff choice. Both Rwork and Rfree percent values up to resolution cutoff shown for each row corresponding to the structure built using data to resolution cutoff shown for each column. Each column represents different structures built using data with different resolution cutoffs, however, structures can only be compared when the same reflections are compared, i.e. values in the same row.

B) Statistics for affinity matured structures at different resolution cutoffs. As above, completeness, CC1/2 and I/σ are shown for the highest resolution bin, and R/Rfree statistics are shown for all reflections within the designated resolution cutoff (Rows).

See also Figure S5.

A - Core Mutant
Completeness (%) CC1/2 (%) Rmerge (%) I/sigma Refinement Resolution
R-factor calculation Resolution
1.16 Å 1.12 Å 1.08 Å 1.04 Å
100 96.8 17.9 8.46 1.16 Å 14.4/16.3 14.2 / 16.0 15.1 / 16.2 15.0 / 16.1
100 95.3 22.4 6.89 1.12 Å 14.2 / 16.1 15.1 / 16.3 15.0 / 16.4
97.2 89.4 29.9 4.47 1.08 Å 15.1 / 16.5 15.1 / 16.5
91.1 74.7 41.8 2.41 1.04 Å 15.2 / 16.7
B - Affinity Matured Mutant
Completeness (%) CC1/2 (%) Rmerge (%) I/sigma Refinement Resolution
R-factor calculation Resolution
1.16 Å 1.12 Å 1.08 Å 1.04 Å 1.00 Å 0.96 Å
100 98.1 24.8 9.24 1.16 Å 11.0 / 12.5 11.1 / 12.4 11.1 / 12.3 11.3 / 12.4 11.4 / 12.4 11.6 / 12.6
100 96.9 32.5 7.01 1.12 Å 11.0 / 12.5 11.1 / 12.4 11.2 / 12.5 11.3 / 12.5 11.5 / 12.6
96.8 90.9 47.9 4.22 1.08 Å 11.2 / 12.5 11.3 / 12.5 11.3 / 12.6 11.5 / 12.7
87.8 76.7 66.6 2.28 1.04 Å 11.5 / 12.8 11.5 / 12.8 11.7 / 12.9
68.7 41.3 118.3 1.00 1.00 Å 11.8 / 13.1 12.0 / 13.3
34.3 7.7 233.1 0.38 0.96 Å 12.2 / 13.5