Table 1. Data collection statistics.
TRABID 245-697 AuCN | TRABID 245-697 | |
---|---|---|
Data collection | ||
Space group | P212121 | P212121 |
a, b, c (Å) | 60.29, 72.24, 132.55 | 60.40, 72.15, 133.01 |
α, β, γ (º) | 90, 90, 90 | 90, 90, 90 |
Resolution (Å) | 72.2-3.50 (3.69-3.50) | 44.7 - 2.23 (2.35-2.23) |
Rmerge | 0.193 (0.513) | 0.077 (0.494) |
l / σl | 10.2 (5.4) | 12.1 (2.7) |
Completeness (%) | 100 (100) | 100 (100) |
Redundancy | 9.0 (9.2) | 4.1 (4.1) |
Refinement | ||
Resolution (Å) | 44.7-2.23 | |
No. reflections | 54670 | |
Rwork / Rfree | 0.202 / 0.246 | |
No. atoms | ||
Protein | 3433 | |
Ligand/ion | 9 | |
Water | 188 | |
B-factors | ||
Protein | 43.5 | |
Ligand/ion | 61.5 | |
Water | 43.2 | |
R.m.s deviations | ||
Bond lengths (Å) | 0.013 | |
Bond angles (º) | 1.38 |