Structure of a conserved hypothetical protein SA1388 from S. aureus reveals a capped hexameric toroid with two PII domain lids and a dinuclear metal center

Table 1 Data collection and refinement statistics

Data collection
Crystal	SA1388_SeMET	SA1388_Native
Wavelength (Å)	0.9792 (peak λ)	0.9792
Space group	H3	H3
Cell dimensions	a = b = 133.17 Å c = 125.80 Å	a = b = 132.54Å c = 125.67Å
Resolution range (Å)	50-2.3	50-2.0
Total number of observations	2275385	815894
Unique reflections	36981	55962
Completeness (%)	99.4 (100)	94.9(73.5)
Mean I/σ	14.23(2.98)	18.01(1.96)
R _merge ¹	0.096 (0.529)	0.043(0.216)
Refinement
Resolution range (Å)	502.0
R _cryst ²	0.187
R _free ³	0.229
Bond length rmsd from ideal	0.018 Å
Bond angle rmsd from ideal	1.78°
Average isotropic B-value	35.1 Å²
ESU based on free R	0.23 Å

¹R_merge = ∑_hkl ∑_i|I_i (hkl) - <I(hkl)>|/∑_hkl ∑_iI_i (hkl)
²R_cryst = ∑_hkl||F_obs| - k |F_calc||/∑_hkl|F_obs|
³ Five percent (total of 2675) of randomly chosen reflections was used to calculate R_free Values in parenthesis correspond to the outer shell.
.

ISSN: 1472-6807