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. Author manuscript; available in PMC: 2023 Nov 7.
Published in final edited form as: Lab Chip. 2023 Apr 12;23(8):2075–2090. doi: 10.1039/d2lc01194h

Table 1.

Crystallographic statistics for data obtained at room temperature using on-chip diffraction of CaMKIIβ.a

On-chip CaMKIIβ hub domain (PDB:7URY)
Data collection
Space group C2221
Cell dimensions
a, b, c (Å) 105.71, 182.8, 110.52
α, β, γ (°) 90, 90, 90
Resolution (Å) 50 – 2.64 (2.69 – 2.64)
R merge 0.072 (0.443)
Mean I/σI 4.4 (1.86)
Completeness (%) 88.9 (91.5)
Redundancy 3.6 (3.7)
CC1/2 0.997 (0.826)
CC* 0.999 (0.951)
Refinement
Resolution (Å) 38.23 – 2.64 (2.707 – 2.64)
Unique reflections 26822 (1942)
Rwork/Rfree (%) 20.37/23.53
No. atoms
Protein 7036
Water -
Ligand 36
Ramachandran plot
In preferred regions (%) 98.86
In allowed regions (%) 1.02
Outliers (%) 0.11
B-factors
Protein 58.1
Water -
Ligand 85.71
R.M.S. deviationsb
Bond lengths (Å) 0.0044
Bond angles (°) 1.3236
a

Statistics for the high-resolution shell are indicated between brackets

b

Comparison of the final value for the geometric parameter (bond distance, bond angle etc.) to the ideal value, taken from the dictionary.65