Table 1 Crystallographic summary

From: Discovery of a distinct type of methylenetetrahydrofolate reductase family that couples with tetrahydrofolate-dependent demethylases

Sample type

S6MTHFR

S6MTHFR-5-CH3-H4folate Complex

Space group

P21

P21

Unit-cell parameters

a, b, c (Å)

37.06, 168.12, 45.42

37.13 170.35 45.15

α, β, γ (°)

90.00, 105.55, 90.00

90.00 104.55 90.00

No. of subunits / asym. unit

2

2

Resolution (Å)

42.35 - 1.50 (1.53 -1.50)

43.70-1.85(1.89-1.85)

R-merge

0.034 (0.24)

0.10 (0.85)

R-pim

0.031 (0.22)

0.064 (0.54)

I/σ(I)

19.1 (4.4)

14.3 (2.2)

Completeness (%)

99.5 (96.3)

100 (100)

No. of observed reflections

309,475 (12,599)

315,500 (19,364)

Multiplicity

3.7 (3.1)

6.8 (6.8)

Mosaicity

0.13

0.23

Refinement

Resolution (Å)

34.92-1.50

38.88-1.85

Rwork

0.17

0.18

Rfree

0.21

0.22

No. atoms

Protein

4,251

4,192

Lignad/Ion

106/-

159/-

Water

842

387

B-factor (Å)

Protein

17.5

21.3

Lignad/Ion

13.9/-

22.0/-

Water

27.6

26.0

R.m.s deviations

Bond lengths (Å)

0.006

0.007

Bond angles (°)

0.804

0.911

PDB ID

7XG9

7XLF

  1. *Statistics in highest resolution shell enclosed in parentheses.
  2. Each dataset was collected from one crystal.
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