The structural basis for the oriented assembly of a TBP/TFB/promoter complex -- Littlefield et al. 96 (24): 13668 Data Supplement - Supplemental Table -- Proceedings of the National Academy of Sciences

Supplementary material for Littlefield et al. (1999) Proc. Natl. Acad. Sci. USA 96 (24), 13668-13673.

Table 1.
Structure determination and refinement

Data statistics		Refinement statistics
Space group	I 2₁3	Resolution, Å	20.0–2.4 (2.49–2.40)
Cell dimensions	a = 174.2 Å	Reflections [work/free]	30,475/3323 (2920/302)
Resolution, Å	28.2–2.4 (2.52–2.4)	R factor,^† %	20.6 (30.0)
Observed reflections	175,841 (20,584)	Free R factor,^†‡ %	24.6 (34.3)
Unique reflections	33,982 (4929)	rms bond length, Å	0.012
Completeness, %	99.2 (99.4)	rms bond angle, °	1.58
R _sym,* %	6.8 (32.9)	rms B factor, Å²	3.38
I /s	7.3 (1.4)	Total solvent molecules	180
		Ramachandran plot residue statistics	Favored regions: 91.3% Allowed regions: 8.7% Disallowed regions: 0%

Numbers in parentheses show the statistics for the final resolution bin.

*R_sym = Sh |I - <I>|h /S Ih, calculated for all data Ih, where <I>h is the average intensity over Friedel and symmetry equivalents of Ih.

^†R factor = Sh ||F_o| - |F_c||h / Sh |F_o|h, where |F_o|h and |F_c|h are the observed and calculated structure factor amplitudes for the hth unique reflection. ^‡Calculated with 10% of the reflections randomly excluded from refinement.