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Table 2 Summary of X-ray Data and Structure Statistics

From: Crystal structure of alkyl hydroperoxidase D like protein PA0269 from Pseudomonas aeruginosa: Homology of the AhpD-like structural family

Crystallographic Data:

 

Space group

P6322

Unit cell dimensions (Å)

92.72, 92.72, 65.30

Resolution (Å)

50-1.85 (1.92-1.85)*

Wavelength (Å)

0.979337

Observations (unique reflections)

14,576

Multiplicity

21.5 (20.2)

<I/σ(I) >

28.5 (9.7)

Rmerge (%)

6.2 (40.2)

Completeness (%)

99.9 (100)

* Numbers in parentheses are for the highest resolution shell.

 

Refinement and structure statistics:

 

Rwork (%)

17.6

Rfree (%)

20.6

RMS Deviations from ideal geometry

 

   Bond length (Å)

0.011

   Bond angle (°)

1.219

Number of atoms

 

   Protein non-hydrogen atoms

1,140

   Water oxygen atoms

108

Mean B-factor (Å2) for protein atoms

28.9

Mean B-factor (Å2) for water

37.3

Ramachandran plot statistics (%)

 

   Residues in most favoured regions

96.1

   Residues in allowed regions

3.9

PDB ID

2O4D