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. Author manuscript; available in PMC: 2008 Nov 2.

Published in final edited form as: J Mol Biol. 2007 Aug 16;373(4):913–923. doi: 10.1016/j.jmb.2007.07.073

Table 2.

Data collection and refinement statistics

Data Collection
Resolution limit (Å)	1.73–20.00
Unique Reflections	47867
Completeness (%)	93.9 (61.8)^b
Redundancy	3.8 (2.6)^b
I/σ<I>	13.2 (4.8)^b
R_merge(%)	0.048 (0.205)^b
Refinement statistics
R_{crys t} (%)	0.16 (0.23)^a
R_free (%)	0.20 (0.26)^a
Number of atoms	4182
Protein	3538
Ligand	102
Solvent	542
Average B-factor (Å²)	30.9
Protein	29.2
Ligand	29.3
Solvent	42.3
R.m.s. deviation
Bond lengths (Å)	0.015
Angles (°)	1.49
Ramachandran (%)
Most favored	91.4
Allowed	8.6

Numbers in parenthesis are for the highest resolution shell: a (1.78–1.73) and b (1.82–1.73)