Table 1 Data collection and refinement statistics.

From: Direct Pore Binding as a Mechanism for Isoflurane Inhibition of the Pentameric Ligand-gated Ion Channel ELIC

 

ELIC-ISFa

ELIC-ISF-BrPPAb

Data collection

Space group

P21

P21

Cell dimensions

  

 a, b, c (Å)

105.8, 267.1, 111.1

105.8, 267.6, 111.4

 α, β, γ (°)

90, 106.9, 90

90, 107.8, 90

Wavelength (Å)

0.9795

0.9199

Resolution (Å)

39.63-3.00 (3.16-3.00)

40.01-3.39 (3.46-3.39)

Rpim (%)

5.5 (83.9)

6.5 (89.4)

Rmerge (%)

25.1 (380.1)*

14.6 (196.9)

CC1/2

0.998 (0.574)

0.997 (0.445)

<I/σ>

14.9 (1.6)

12.2 (1.0)

No. observations

2512986 (361593)

560028 (28145)

Completeness (%)

99.9 (100)

98.1 (91.6)

Redundancy

21.4 (21.1)

7.0 (6.6)

Wilson B factor (Å2)

87.3

106.9

Refinement

Resolution (Å)

36.97-3.00

34.89-3.39

No. reflections

117183 (3692)

156498 (4560)

Rwork

0.2090 (0.3753)

0.1923 (0.3387)

Rfree

0.2432 (0.3865)

0.2466 (0.4133)

No. atoms

 Protein

25270

25270

 Solvent

420

81

 Ligand

160

180

B-factors (Å2)

  

 Proteins

97.6

116.3

 Solvent

91.6

91.0

 ISF

123.5

149.3

 Br

 

222.0

R.m.s deviations

 Bond lengths (Å)

0.014

0.011

 Bond angles (°)

1.328

1.430

  1. aMerged from five datasets;
  2. bsingle dataset with anomalous scaling.
  3. *The larger value is due to the merging of five datasets.
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