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Table 1 Crystallographic and Refinement Statistics

From: Interactions between the quality control ubiquitin ligase CHIP and ubiquitin conjugating enzymes

 

CHIP U-box: UbcH5a complex

Data Collection

 

Space group

P212121

Unit cell

 

   a, b, c (Å)

79.0, 93.4, 144.0

   α,β,γ (°)

90, 90, 90

No. molecules/asymmetric unit

2 CHIP, 2 UbcH5a

Resolution (Ã…)

55.00-2.90 (3.00-2.90)a

Unique reflections

24283

Completeness (%)

99.9 (100)

Redundancy

3.40 (3.42)

I/σ

8.5 (1.6)

Rmerge(%)b

8.0 (46.6)

Refinement

 

Resolution (Ã…)

53.2-2.90 (3.08-2.90)

Rwork(%)c

24.0

Rfree(%)d

27.2

Protein atoms

3518

Waters

4

Other atoms

3

Average B factor (Ã…2)

65.0

r.m.s.d. – bond lengths (Å)

0.007

r.m.s.d. – bond angles (°)

1.4

r.m.s.d. – dihedrals (°)

23.4

r.m.s.d. – improper angles (°)

1.1

Ramachandran plot (%)

 

   Most favored and allowed

97.6

   Generously Allowed

2.4

   Disallowed

0.0

PDB ID code

2 OXQ

  1. aStatistics for the highest resolution shell are shown in parentheses.
  2. bRmerge = Σ|Ii-<Ii>|/Σ|Ii|
  3. cRwork = Σh||Fobs(h)|-k|Fcalc(h)||/ΣhFobs(h)
  4. dRfree is the R factor calculated for 5% of reflections, excluded from refinement