Table 1 Data collection and refinement statistics (molecular replacement)

From: A structure-based designed small molecule depletes hRpn13Pru and a select group of KEN box proteins

 

hRpn13: ubiquitin: XL44 complex

Data collection

Space group

P1211

Cell dimensions

  a, b, c (Å)

53.35, 59.28, 65.02,

  α, β, γ (°)

90, 113.23, 90

Resolution (Ã…)

42.66 − 2.1 (2.175 − 2.1) a

Rsym or Rmerge

0.06878 (0.4141)

I / σI

9.01 (2.39)

Completeness (%)

98.29 (96.92)

Redundancy

3.4 (3.1)

Refinement

Resolution (Ã…)

2.10

No. reflections

32544 (3179)

Rwork / Rfree

0.2206/0.2466

No. atoms

  Protein

3018

  Ligand/ion

58

  Water

101

B-factors

  Protein

45.65

  Ligand/ion

69.39

  Water

42.85

R.m.s. deviations

  Bond lengths (Å)

0.283

  Bond angles (°)

4.46

  1. aValues in parentheses are for highest-resolution shell.
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