Table 1 Data collection and refinement statistics.
From: Structure and boosting activity of a starch-degrading lytic polysaccharide monooxygenase
Trimethyl lead acetate soak | Cu-loaded crystal refinement data | Cu-loaded crystal Cu edge data set | |
|---|---|---|---|
Data collection | |||
Space group | P212121 | P212121 | P212121 |
Cell dimensions | |||
a, b, c (Å) | 47.14, 61.69, 73.83 | 46.56, 61.60, 73.16 | 46.57, 61.72, 73.49 |
α, β, γ (°) | 90.00, 90.00, 90.00 | 90.00, 90.00, 90.00 | 90.00, 90.00, 90.00 |
Wavelength (Å) | 1.008 | 1.037 | 1.377 |
Resolution (Å)* | 30–1.25 (1.32–1.25) | 30–1.50 (1.59–1.50) | 30–1.70 (1.75–1.70) |
Rrim | 7.7 (22.6) | 8.8 (55.3) | 10.2 (70.4) |
I/σI | 18.1 (6.3) | 13.7 (3.2) | 14.3 (3.3) |
Completeness (%) | 97.2 (84.6) | 99.2 (98.7) | 99.9% (100.0) |
Redundancy | 6.8 (4.5) | 4.46 (4.42) | 6.5 (6.4) |
Refinement | |||
Resolution (Å) | 30.00–1.50 (1.54–1.50) | ||
No. of reflections | 32,929 | ||
Rfactor/Rfree | 12.1/17.0 | ||
No. of atoms | |||
Protein (incl. Cu) | 1,876 | ||
Ligand/ion | 62 | ||
Water | 216 | ||
B-factors (Å2) | |||
Protein (incl. Cu) | 14 | ||
Ligand/ion | 36 | ||
Water | 27 | ||
R.m.s. deviations | |||
Bond lengths (Å) | 0.019 | ||
Bond angles (°) | 1.99 | ||
