Table 1.

Summary of crystallographic analysis

Diffraction data and MR statistics
Crystal*	Resolution, Å	Rmerge†, %	Reflections measured/unique	Completeness, %	Solutions¶	CO¶	R¶
Native I	2.8	4.3	62,396/20,967	78.0	2	47.2	46.6
Native II	2.3	2.7	77,545/37,403	96.5

Refinement (Native II)
Resolution, Å	20–4.58	3.65	3.19	2.90	2.69	2.53	2.40	2.30	Total
No. reflections	5696	5656	5512	5198	4788	4180	3454	2702	37,186
R-factor‡	15.27	20.16	29.30	33.14	36.95	38.04	38.86	41.56	23.24
Free R-factor§	21.94	24.45	32.45	38.65	39.36	38.79	35.91	38.02	28.22
rms deviations; Bonds, 0.009 Å; Angles, 1.4°

^*Crystal spacegroup P1; a = 64.7 Å, b = 70.6 Å, c = 75.5 Å, α = 65.7°, β = 67.2°, γ = 69.6°, two SarR-MBP monomers/unit cell. 

^† R_merge = 100 × Σ_j|I_j − 〈I〉|/Σ_jI_j with Bijvoet pairs treated as equivalent. 

^‡ R-factor = Σ|F_obs − F_calc|/ΣF_obs for all amplitudes with F/σ(F) ≥ 2 measured in the indicated resolution bin. 

^§ Free R-factor was calculated with 5% of the data in each bin. 

^¶ Molecular replacement solutions, CO, (correlation coefficients); and R, are defined in amore (19).