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. Author manuscript; available in PMC: 2012 Mar 22.
Published in final edited form as: Biochemistry. 2011 Feb 15;50(11):1885–1893. doi: 10.1021/bi101921w

Table 3.

Data collection and refinement statistics

PDB codes Ap4A bound AgAK 3LOO
Data collection
Space group P21
Cell dimension
a, b, c (Å) 50.4, 76.8, 140.5
α, β, γ (°) 90.0, 92.1, 90.0
Resolutions (Å) 20.00–2.00 (2.07–2.00)
Rsym (%) 6.8 (54.7)
I/σI 19.5 (2.1)
Completeness (%) 100.0 (99.8)
Redundancy 3.7 (3.6)

Refinement
Resolution (Å) 20.00–2.0
No. reflections 72380
Rwork/Rfree (%) 19.8/24.7

B-factors (Å2)
Protein
(main chain) 38.8
(side chain) 41.0
Water 39.9
Ligand 37.4

No. of Atoms
Protein 7753
Water 242
Ligand 165

R.m.s deviations
Bond lengths (Å) 0.014
Bond angles (°) 1.50

Ramanchran analysis
allowed region 99.3%
disallowed region 0.7%

Coordinate Error by Luzzati plot (Å) 0.25

Numbers in parentheses are for the highest-resolution shell. One crystal was used for each data set.