Table 2:
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 | 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 = b = 78.82 , | a = b = 58.60 , | a = 63.20 , b = 87.22 , | a = b = 141.77 , | a = 114.29 , b = 54.81 , |
c = 37.94 , | c = 38.207 , | c = 151.44 , | c = 89.12 , | c =103.47 , | c =45.33 , | |
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 |