Apo

Malate-bound

Data collection

Space group

P2₁2₁2₁

C₂

Cell dimensions

a, b, c (Å)

59.93, 87.79, 124.04

265.39, 85.60, 56.01

α, β, γ (˚)

90.00, 90.00, 90.00

90.00, 101.73, 90.00

Resolution (Å)

50 - 1.65 (1.68 - 1.65)^a

50.0 - 1.97(2.00 - 1.97)^a

R_sym or R_merge

0.06

0.070

I/σI

36.3 (1.2)

21.9 (2.4)

Completeness (%)

99.3 (90.2)

99.2 (93.2)

Redundancy

13.6 (7.7)

5.9 (4.8)

Unique reflections

78578

83288

Refinement

Resolution (Å)

50 - 1.65

50.0 - 1.97

No. reflections

67,495

78,469

R_work/R_free

0.188/0.221

0.189/0.224

No. atoms

Protein

3681

7453

Water

704

376

B-factors

Protein

15.5

37.2

Water

27.9

32.4

R.m.s. deviations

Bond lengths (Å)

0.022

0.018

Bond angles (˚)

1.741

1.873

Ramachandran Plot^b

Favored regions (%)

100

98.6

Outliers (%)

0

0