Table 1 X-ray data collection and refinement statistics for crystal structures of MORC2(1–603) variants reported in this paper

From: Neuropathic MORC2 mutations perturb GHKL ATPase dimerization dynamics and epigenetic silencing by multiple structural mechanisms

 

WT

T424R

S87L

Ligand

AMP-PNP

AMP-PNP

ATP

Data collection

 X-ray source

ESRF ID30b

ESRF ID29

ESRF ID29

 Space group

P1211

P1211

P1211

 Cell dimensions

  a, b, c (Å)

66.17, 127.93, 80.19

69.61, 125.73, 81.53

69.85, 124.68, 80.36

  α, β, γ (°)

90.0, 101.2, 90.0

90.0, 97.8, 90.0

90.0, 97.7, 90.0

 Wavelength (Å)

0.972636

0.975999

0.975999

 Resolution (Å)a

78.66–1.81 (1.84–1.81)

80.76–2.57 (2.62–2.57)

79.63–2.02 (2.05–2.02)

 Observations

789,315

165,185

309,681

 Unique reflections

118,148

43,876

82,175

 Rmerge

0.082 (0.901)a

0.046 (0.599)a

0.052 (0.648)a

 <I>/σ(I)a

13.6 (2.1)

16.2 (2.1)

13.5 (2.2)

 Completeness (%)a

98.9 (98.3)

99.6 (99.4)

91.9 (96.7)

 Redundancya

6.9 (6.3)

3.8 (3.7)

3.8 (3.7)

Refinement

 Rwork/Rfree

0.161/0.188

0.211/0.239

0.198/0.228

 No. of non-H atoms

  Protein

8708

8696

8713

  Ligand/ions

66

66

67

  Solvent

721

39

304

 Mean B-factors

  Protein

44.0

93.1

53.8

  Ligand/ions

24.1

52.0

34.9

  Solvent

45.4

57.2

47.0

 RMSD

  Bond lengths (Å)

0.012

0.014

0.015

  Bond angles (°)

1.108

1.935

1.930

 Ramachandran stats

  % Favored

97.36

97.07

97.27

  % Allowed

2.45

2.84

2.54

  % Outliers

0.19

0.09

0.19

PDB code

5OF9

5OFA

5OFB

  1. aValues in parentheses refer to the highest-resolution shell.
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