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. 2013 Mar 15;8(3):e59265. doi: 10.1371/journal.pone.0059265

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].