Table 1 Data collection and refinement statistics of Calsepa and PHA-E bisected glycan complexes.
From: Atomic visualization of a flipped-back conformation of bisected glycans bound to specific lectins
Data collection statistics | ||
|---|---|---|
Crystal ID | Calsepa- glycan 1 | PHA-E- glycan 2 |
Space group | P1 | P21 |
Cell constants | a = 47.6, b = 52.8, c = 54.8 Å, | a = 95.2, b = 122.8, c = 97.7 Å, |
α = 90.0°, β = 90.0°, γ = 94.0° | β = 90.7° | |
Resolution (Å) | 100–1.85 | 100–3.00 |
(1.88–1.85) | (3.05–3.00) | |
Rsym (%)* | 8.8 (45.2) | 7.1 (32.0) |
Completeness (%)* | 97.0 (96.0) | 99.9 (100) |
Multiplicity* | 1.9 (2.0) | 4.2 (4.2) |
< I >/< σI > * | 14.9 (1.9) | 23.6 (5.0) |
Refinement statistics | ||
Resolution | 54.77–1.85 | 100–3.00 |
Unique reflection | 41,846 | 42,772 |
Number of refined atoms | ||
Protein | 4,335 | 14,656 |
Carbohydrate | 154 | 800 |
Water | 207 | 32** |
Metal ion | – | 16 |
R (%) | 24.7 | 23.1 |
Rfree (%) | 27.9 | 27.4 |
Mean B value (Å2) | ||
Protein | 22.9 | 41.2 |
Carbohydrate | 27.9 | 58.9 |
Water | 25.0 | 43.1 |
Metal ion | – | 45.5 |
Overall | 23.1 | 42.1 |
Root mean square deviations from ideal values | ||
Bond length (Å) | 0.006 | 0.005 |
Bond angle (°) | 1.079 | 1.053 |
Ramachandran plot | ||
Favored (%) | 97.0 | 95.3 |
Outlier (%) | 0 | 0.05 |
