TABLE 1.
Statistics | RXRαLBD-SMRT | RXRαLBD-rhein-SMRT |
---|---|---|
Data collection | ||
Space group | P 41 21 2 | P 21 21 21 |
Cell dimensions | ||
a, b, c (Å) | 118.22, 118.22, 84.02 | 85.03, 117.58, 117.12 |
α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
Resolution (Å) | 44.7-2.9 (3.0-2.9)a | 42.5-3.0 (3.1-3.0) |
Rsym or Rmerge | 0.092 (0.447) | 0.083 (0.542) |
I/σI | 49.2 (7.3) | 29.8 (4.1) |
Completeness (%) | 99.5 (100) | 99.0 (100) |
Redundancy | 7.5 (7.5) | 3.6 (3.8) |
Refinement | ||
Resolution (Å) | 44.8-2.9 | 42.5-3.0 |
No. of reflections | 13,219 | 22,792 |
Rwork/Rfree | 0.251/0.292 | 0.247/0.290 |
No. of atoms | 3,504 | 6,901 |
B-factors | 65.1 | 70.1 |
Root mean square deviations | ||
Bond lengths (Å) | 0.019 | 0.017 |
Bond angles (°) | 1.239 | 1.109 |
Ramachandran plot (%) | ||
Most favored regions | 94.3 | 93.8 |
Allowed regions | 5.7 | 6.2 |
a Values in parentheses are for highest resolution shell.