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. Author manuscript; available in PMC: 2010 Apr 7.
Published in final edited form as: J Struct Funct Genomics. 2008 Nov 26;9(1-4):41–49. doi: 10.1007/s10969-008-9050-y

Table 2.

Statistics of Q8ZP25_SALTY X-ray crystal structure

Crystal Parameters:
Space group P21
Unit-cell at 100 K [Å] 39.5, 71.2, 95.0 90.0°, 90.1°, 90.0°
Data quality:
Resolution [Å] 20–2.8 (2.85–2.80)
No. of measured reflections 88422 (3992)
No. of unique reflections 24561 (1174)
Rsym [%] 4.9 (12.2) (I ≥ −3σ1 for observations)
Mean redundancy 3.6 (3.4)
Completeness [%] 98.6 (95.5) (All measured reflections)
88.6 (83.9) (I ≥ 2σ1)
Mean I/σI 35.4 (9.2) (I ≥ σ1 after merging)
Refinement residuals (F≥2σF):
Rfree [%] 33.8
Rwork [%] 28.5
Model quality:
RMSD bond lengths [Å] 0.017
RMSD bond angles 2.4 °
Ramachandran plot summary [%]
 most favored regions 86.6
 allowed regions 12.2
 generously allowed regions 1.2
Average B factors (Å2):
All 43.3
Main chain 33.7
Side chain 35.2
Waters 45.8
Model contents:
Protein residues 4×103
Water molecules 560