Ā | Apo-Bc DHPS | Bc DHPS complex |
---|---|---|
Data Collection | C 222 1 | P 212121 |
Unit Cell (Ć ) | 73.9 89.43 87.60 | 73.66 86.92 88.79 |
Resolution Range (Ć ) | 57.25-2.35 (2.48-2.35) | 29.60-1.95 (2.001-1.95) |
Number of Reflections | 84141 | 183983 |
Number of Unique Reflections | 12564 | 41750 |
Completeness (%) | 99.5 (97.1) | 98.9 (93.6) |
Multiplicity | 6.7 (4.2) | 4.4 (3.7) |
R merge (%)ā | 11.7 (36.4) | 5.4 (36.9) |
<I/s(I)> | 10.0 (2.4) | 14.4 (3.1) |
Refinement | Ā | Ā |
R work ā” | 0.208 | 0.176 |
R free Ā§ | 0.274 | 0.211 |
r.m.s.d. from ideal values, bond lengths (Ć ) | 0.0083 | 0.0109 |
r.m.s.d. from ideal values, bond angles (Ā°) | 2.1597 | 1.2320 |
DPI* (Ć ) | 0.3917 | 0.1496 |
Ramachandran analysis | Ā | Ā |
āāāResidues in favored regions (%) | 95.4 | 96.7 |
āāāResidues in allowed regions (%) | 0.4 | 1.3 |
Model Statistics | Ā | Ā |
Wilson B-factor (Ć 2) | 47.7 | 27.4 |
Protein residues: | Ā | Ā |
No. in subunit A & B | 268 | 280 281 |
B-factor A & B (Ć 2) | 39.5 | 27.8 30.4 |
Additional groups: | Ā | Ā |
Ligand B-factor in subunit A & B | NA | 31.4 33.1 |
Water No./B-factor | 89/35.9 | 324/21.9 |
Ethylene glycol No./B-factor | 4/35.5 | 4/38.7 |
Chloride No./B-factor | NA | 1/34.3 |