Skip to main content
. Author manuscript; available in PMC: 2022 Dec 7.
Published in final edited form as: Lab Chip. 2021 Dec 7;21(24):4831–4845. doi: 10.1039/d1lc00810b

Table 2:

Crystallographic statistics obtained from Lysozyme, Thaumatin and Concanavalin-A, Catalase and NSP5 crystals grown in the microfluidic chip. Values in parentheses correspond to the highest resolution shell.

Protein Lysozyme (fresh) Lysozyme (aged) Thaumatin Concanavalin-A Catalase NSP5

Number of crystals used 7 6 16 12 7 11
Average crystal size ~30–35 μm ~70 μm ~ 100 μm ~ 200 μm ~ 90–100 μm ~ 200 μm
(Largest dimension)
Resolution range (A˙) 56.05 – 1.87 35.25 – 1.5 58.61 – 1.45 51.18 – 1.30 52.8 – 2.274 31.64 – 2.7
(1.94 – 1.87) (1.55 – 1.5) (1.48 – 1.45) (1.35 – 1.30) (2.355 – 2.274) (2.797 – 2.7)
Unit cell dimensions a = b = 79.26 A˙, a = b = 78.82 A˙, a = b = 58.60 A˙, a = 63.20 A˙, b = 87.22 A˙, a = b = 141.77 A˙, a = 114.29 A˙, b = 54.81 A˙,
c = 37.94 A˙, c = 38.207 A˙, c = 151.44 A˙, c = 89.12 A˙, c =103.47 A˙, c =45.33 A˙,
α = β =γ = 90° α = β =γ = 90° α = β =γ = 90° α = β =γ = 90° α = β = 90°, γ = 120° α = γ = 90°, β = 101.45°
Space group P43212 P43212 P41212 I222 P3221 C121
Data processing statistics
Total reflections 120310 (12080) 331623 (33168) 1392515 (65410) 786259 (24955) 1040538 (97971) 49766 (5027)
Unique reflections 10449 (1003) 19849 (1949) 47884 (2332) 60428 (5732) 55166 (5256) 7530 (747)
Multiplicity 11.5 (12.0) 16.7 (17.0) 29.1 (28.0) 13.0 (4.4) 18.9 (18.6) 6.6 (6.7)
Completeness (%) 99.82 (98.91) 99.97 (99.95) 100.0 (100.0) 98.8 (89.5) 99.56 (95.89) 96.30 (93.18)
Mean I/σ(I) 11.47 (2.02) 16.80 (1.59) 15.4 (0.9) 17.6 (0.6) 10.64 (1.05) 8.24 (1.78)
Rmerge 0.159 (1.63) 0.09752 (1.953) 0.146 (3.606) 0.072 (2.107) 0.218 (2.587) 0.248 (2.01)
Rmeas 0.167 (1.703) 0.1007 (2.013) 0.149 (3.671) 0.075 (2.384) 0.224 (2.658) 0.2691 (2.183)
Rpim 0.048 (0.481) 0.02467 (0.4847) 0.027 (0.677) 0.019 (1.055) 0.051 (0.606) 0.097 (0.795)
CC1/2 0.994 (0.602) 0.999 (0.773) 0.999 (0.647) 0.993 (0.159) 0.997 (0.576) 0.968 (0.267)
Wilson B-factor 28.48 22.45 19.9 17.8 48.65 55.59
Refinement statistics
Rwork (%) 15.61 15.02 15.2 14.6 16.2 18.0
Rfree (%) 17.9 17.13 16.0 16.5 20.1 21.8
RMS (bonds, Å) 0.005 0.008 0.022 0.004 0.003 0.003
RMS (angles, °) 0.59 0.84 1.59 0.83 0.58 0.53
Ramachandran
favored (%) 99.21 99.21 98.0 97.8 95.85 96.04
allowed (%) 0.79 0.79 2.0 2.2 3.94 3.96
outliers (%) 0 0 0 0 0.20 0
Average B-factor
macromolecule 33.30 28.13 21.9 22.7 56.46 59.64
ligands - - - 14.6 55.17 -
solvent 36.39 36.13 38.6 34.6 46.48 49.38