Table 2 Data collection and refinement statistics.
From: Structural and functional characterization of a DARPin which inhibits Ras nucleotide exchange
K27 | K55 | |
|---|---|---|
Data collection* | ||
Space group | P65 | H3 |
Cell dimensions | ||
a, b, c (Å) | 197.14, 197.14, 84.61 | 112.83, 66.77 |
α, β, γ (°) | 90, 90, 120 | 90, 90, 120 |
Resolution (Å)** | 3.22–98.57 (3.22–3.30) | 2.19–56.41 (2.19–2.25) |
Number of reflections | 309,691 (22,248) | 71,531 (2,298) |
Number of unique reflections | 30,646 (2258) | 15,629 (903) |
Rmerge | 0.362 (0.965) | 0.074 (0.716) |
CC(1/2) | 0.988 (0.562) | 0.998 (0.477) |
I/σI | 7.8 (1.8) | 12.8 (1.3) |
Completeness (%) | 100 (100) | 95.7 (74.4) |
Redundancy | 10.1 (909) | 4.6 (2.5) |
Refinement | ||
Resolution (Å) | 3.22–98.57 (3.22–3.30) | 2.19–56.41 (2.19–2.24) |
No. of reflections | 29,155 (2124) | 14,863 (868) |
Rwork/Rfree | 0.201/0.235 | 0.185/0.231 |
No. atoms | ||
Protein | 9,731 | 2,323 |
Ligand/ion | 55.66 | 36.93 |
Water | 41.29 | 38.5 |
B-factors | ||
Protein | 75.9 | 42.9 |
Ligand/ion | 55.66 | 36.93 |
Water | 41.29 | 38.5 |
R.m.s. deviations | ||
Bond lengths (Å) | 0.015 | 0.013 |
Bond angles (°) | 1.956 | 1.618 |
