TABLE 1.
Data collection | |
Space group | P21 |
Cell dimensions | |
a, b, c (Å) | 64.95, 76.03, 81.43 |
α, β, γ (°) | 90.00, 96.93, 90.00 |
Resolution (Å) | 20-3.0 (3.09-3.0) |
Rmerge | 7.8% (65.5%) |
I/σI | 14.06 (2.05) |
Completeness (%) | 96.2% (97.7%) |
Redundancy | 3.00 (3.00) |
Refinement | |
Resolution (Å) | 20.0-3.0 |
No. of reflections | 15,336 |
Rwork/Rfree (%) | 21.82/25.48 |
No. of atoms | |
Protein | 5266 |
Ligand/ion | 42 |
Water | 22 |
B-factors | |
Protein | 87.18 |
Ligand/ion | 64.23 |
Water | 42.74 |
r.m.s.d.a | |
Bond lengths (Å) | 0.001 |
Bond angles (°) | 0.437 |
Ramachandran | |
Favored | 95.52% |
Allowed | 4.48% |
Disallowed | 0.00% |
a r.m.s.d., root mean square deviation.