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Table 1 Data Collection and model refinement statistics

From: X-ray structures of Na-GST-1 and Na-GST-2 two glutathione s-transferase from the human hookworm Necator americanus

Data Collection

Na-GST-1

Na-GST-2

Space group

P 212121

P21

Resolution (Ã…)

30–2.4 (2.5–2.4)

30–1.9 (2.0–1.9)

Rmerge (%)a

6.0 (19.1)

6.0 (36.0)

Completeness (%)

97.7 (88.1)

88.0 (69.8)

Redundancy

5.3 (3.2)

2.9 (2.1)

I/σ(I)

11.2 (4.5)

12.1 (2.5)

Refinement

  

R-factorb (%)

18.9 (17.4)

17.6 (21.8)

R-freec (%)

28.3 (33.1)

21.7 (30.2)

Correlation coefficient

  

Fo – Fc

0.902

0.958

Fo – Fc Free

0.945

0.936

R.m.s. deviation

  

bond length (Ã…)

0.017

0.014

bond angles (°)

1.675

1.383

Ramachandran plot

  

Most preferred (%)

91.0

93.7

Additional allowed (%)

7.8

5.7

Generously allowed (%)

0.8

0.6

Disallowed (%)

0.4

0.0

Model Composition asymmetric unit

  

Number of monomers

4

8

Number of glutathione bound

0

8

  1. a Rmerge = (Σ|I - <I>|)/ΣI, Where I is the observed intensity, and <I> is the average intensity obtained from multiple observations of symmetry-related reflections after rejections.
  2. bR-factor = Σ||Fo| - |Fc||/Σ|Fo| where Fo are observed and Fc are calculated structure factors amplitudes.
  3. c R-free set uses 5% of randomly chosen reflections.