Table 1 Data collection and refinement statistics

From: Tropane alkaloids biosynthesis involves an unusual type III polyketide synthase and non-enzymatic condensation

 

AaPYKS-COB

AaPYKS-6

Data collection

Space group

P3221

P3221

Cell dimensions

 a, b, c (Å)

108.1, 108.1, 191.1

108.4, 108.4, 191.5

 α β γ (°)

90, 90, 120

90, 90, 120

 Resolution (Å)

50.00–2.00 (2.03–2.00)

50.00–2.53 (2.57–2.53)

 Rsym or Rmerge

0.104 (0.926)

0.092 (0.472)

 I/σI

24.9 (2.7)

34.1 (8.0)

 Completeness (%)

100 (100)

100 (100)

 Redundancy

11.0 (10.1)

16.4 (16.4)

Refinement

 Resolution (Å)

47.06–2.00

47.15–2.53

 No. reflections

85,063

43,997

 Rwork/Rfree

0.175/0.194

0.164/0.191

 No. atoms

6466

6296

 Protein

5805

5778

 Ligand/ion

34

114

 Water

627

404

B-factors

 Protein

27.3

32.9

 Ligand/ion

39.8

63.9

 Water

37.2

38.6

R.m.s. deviations

 Bond lengths (Å)

0.01

0.01

 Bond angles (°)

1.14

1.45

  1. *Values in parentheses are for highest-resolution shell
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