Table 1 Data collection and refinement statistics.

From: Structural basis for substrate and product recognition in human phosphoglucomutase-1 (PGM1) isoform 2, a member of the α-d-phosphohexomutase superfamily

 

PGM1-2

PGM1-2:G1P

PGM1-2:G6P

Data collection

Beamline

ESRF, ID29

ESRF, ID29

ESRF, ID29

Wavelength (Å)

0.9762

0.9762

0.9762

Temperature (K)

100

100

100

Space group

P21

P21

P21

Cell dimensions

a, b, c (Å)

72.34, 53.38, 76.07

72.95, 53.35, 76.32

73.26, 53.16, 76.83

β

100.15°

98.44°

99.14°

Resolution (Å)

43.47-2.75 (2.90-2.75)a

43.57–2.70 (2.83–2.70)

48.63–2.70 (2.83–2.70)

Rmerge

0.174 (0.797)

0.109 (0.781)

0.082 (0.560)

Mean I/σI

6.9 (2.0)

10.6 (1.9)

13.1 (2.1)

Completeness (%)

99.7 (99.9)

99.6 (99.6)

99.6 (99.7)

Redundancy

5.0 (5.1)

4.9 (4.9)

4.6 (4.8)

Refinement statistics

Resolution (Å)

43.47–2.75

43.57–2.70

48.63–2.70

No. of reflections

15,063 (1482)

16,141 (1605)

16,195 (1600)

Rwork/Rfree

0.209/0.270

0.197/0.248

0.206/0.246

No. of atoms

Protein

4411

4440

4401

Ligand/ion

1

17

17

Water

57

49

84

B-factors (Å2)

Protein

52.44

56.06

47.07

Ligand/ion

38.70

57.33

63.62

Water

43.89

46.77

40.32

RMS deviationsb

Bond lengths (Å)

0.003

0.003

0.002

Bond angles (°)

0.52

0.56

0.49

Ramachandran statisticsc

Favored (%)

97

96

96

Allowed (%)

3

4

4

PDB code

6SNP

6SNO

6SNQ

  1. aValues in parentheses are for highest-resolution shell.
  2. bRoot mean square deviations.
  3. cRamachandran plots generated with MolProbity via the PDB validation server.
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