Table 1 Crystallographic information
From: Structural basis of GC-1 selectivity for thyroid hormone receptor isoforms
|  | hTRα + GC-1 (first crystal form) | hTRα + GC-1 (second crystal form) | hTRα + T3 | hTRβ + GC-1 | hTRβ + T3 |
|---|---|---|---|---|---|
Space group | P212121 | C2 | P212121 | P3121 | P3121 |
Cell Parameters (Å) | a = 59.91 b = 80.35 c = 102.89 | a = 89.80 b = 78.78 c = 43.07 β = 95.18 | a = 59.98 b = 80.79 c = 102.21 | a = 68.99 b = 68.99 c = 130.86 | a = 68.95 b = 68.95 c = 131.11 |
Resolution (Å) | 43.44 – 1.85 | 58.72 – 2.50 | 63.25 – 1.87 | 33.35 – 2.55 | 33.35 – 2.30 |
I/(σ) | 35.81 (3.64) | 7.8 (2.1) | 7.8 (2.0) | 17.66(2.31) | 25.75(2.02) |
Total number of reflections | 40931 | 9551 | 39069 | 11291 | 15596 |
Completeness (%) | 100 | 91.7 (83.7) | 98.7 (98.9) | 96.9(99.0) | 99.0 |
Multiplicity | 6.3 (6.0) | 7.2 (7.2) | 8.2 (7.8) | 3.9 (3.7) | 16.1 (5.5) |
Rmergea (%) | 4.3 (49.2) | 7.6 (36.6) | 5.9 (38.3) | 6.7 (57.7) | 7.7 (56.5) |
Bond length (Ã…) | 0.037 | 0.018 | 0.041 | 0.033 | 0.024 |
Bond angles (deg) | 3.047 | 1.813 | 3.846 | 3.082 | 2.631 |
Rfactor (%) | 14.9 | 18.8 | 14.8 | 20.3 | 20.4 |
Rfree (%) | 18.8 | 26.3 | 18.6 | 27.6 | 25.4 |