Table 1. Crystallographic data and refinement statistics.
Crystal | mEAG | dELK | hERG | Δ9-hERG |
Space group | P3221 | P4132 | P6522 | P4232 |
Unit cell parameters | ||||
a = b (Å) | 93.3 | 150.3 | 56.7 | 89.5 |
c (Å) | 172.3 | 150.3 | 134.7 | 89.5 |
α = β (°) | 90 | 90 | 90 | 90 |
γ (°) | 120 | 90 | 120 | 90 |
Diffraction statistics | ||||
Resolution range (Å) | 43–1.85 (1.95–1.85) | 61–2.00 (2.11–2.00) | 33–1.96 (2.06–1.96) | 40–2.12 (2.23–2.12) |
No. unique reflections | 71849 (10400) | 39431 (5615) | 9923 (1380) | 7429 (1020) |
No. measured reflections | 536953 (57622) | 577984 (39457) | 165724 (23033) | 73194 (7979) |
Multiplicity | 7.8 (5.5) | 14.7 (7.0) | 16.7 (16.7) | 9.9 (7.9) |
Completeness (%) | 100 (99.9) | 99.5 (99.4) | 100 (100) | 99.5 (99.5) |
I/σI | 7.5 (1.3) | 6.4 (1.4) | 5.6 (0.9) | 8.5 (1.1) |
Rsym (%) | 7.0 (56.3) | 8.9 (55.0) | 10.3 (72.4) | 8.9 (69.1) |
Refinement statistics | ||||
Resolution range (Å) | 40–1.85 (1.87–1.85) | 30–2.0 (2.05–2.00) | 33–2.05 (2.35–2.05) | 44.8–2.12 (2.28–2.12) |
No reflections | 71734 | 39372 | 9877 | 7403 |
Rwork/Rfree (%) | 16.6/19.2 (24.3/23.9) | 17.3/19.2 (23.3–25.9) | 20.0/23.9 (23.7/25.7) | 19.4/23.8 (31.4/38.6) |
No of: | ||||
Protein residues | 447 | 249 | 110 | 119 |
waters | 395 | 210 | 40 | 89 |
sulfates | 6 | 2 | ||
glycerol | 1 | |||
RMSD bond length (Å) | 0.011 | 0.003 | 0.004 | 0.008 |
RMSD bond angles (°) | 1.214 | 0.742 | 0.797 | 1.033 |
Note - values in parenthesis correspond to statistics for data in the highest resolution shell. Diffraction statistics for mEAG and dELK crystal were taken from [20].