Table 1 Crystallographic data collection and refinement statistics

From: MenT nucleotidyltransferase toxins extend tRNA acceptor stems and can be inhibited by asymmetrical antitoxin binding

 

MenT1 apo native

MenAT1 complex native

PDB ID Code

8AN4

8AN5

Number of crystals

1

1

Beamline

Diamond I24

Diamond I04

Wavelength, Å

0.9795

0.9795

Resolution range, Å

43.84–1.65 (1.71–1.65)a

43.68–1.44 (1.492–1.44)

Space group

I 4 2 2

P 21

Unit cell

   a b c (Å)

123.99 123.99 118.34

45.87 81.73 64.83

   α β γ (°)

90.00 90.00 90.00

90.00 107.78 90.00

Total reflections

5,659,100 (551,522)

1,110,358 (107,121)

Unique reflections

55,309 (5434)

82,208 (8166)

Multiplicity

102.3

13.5

Completeness (%)

90.68 (14.59)

99.80 (98.70)

Mean I/sigma(I)

8.95

13.07

Rmerge

1.82 (−20.7)

0.09 (2.15)

Rmeas

1.83 (−20.8)

0.09 (2.24)

CC1/2

0.99 (0.29)

1.00 (0.63)

Rwork

0.2247 (0.7550)

0.1706 (0.3348)

Rfree

0.2333 (0.9489)

0.1899 (0.3398)

No. of non-hydrogen

   Atoms

3077

3679

   Macromolecules

2957

3335

   Solvent

120

344

Protein residues

384

429

RMSD (bonds, Å)

0.01

0.01

RMSD (angles, °)

1.41

1.12

Ramachandran favoured (%)

97.88

98.56

Ramachandran allowed (%)

2.12

1.44

Ramachandran outliers (%)

0.00

0.00

Average B-factor

43.87

37.70

   Macromolecules

43.97

37.42

   Solvent

41.49

40.40

  1. aStatistics for the highest-resolution shell are shown in parentheses.
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