. Author manuscript; available in PMC: 2013 Feb 28.

Published in final edited form as: Biochemistry. 2012 Feb 13;51(8):1547–1558. doi: 10.1021/bi201525n

Table 1.

Crystal Data and and Refinement Statistics for KaiC E318A Mutant

Data Collection
space group	P2₁2₁2₁
unit cell constants [Å]	a=131.71, b=135.06, c=204.25
X-ray source	APS, LS-CAT, 21-ID-G
detector	MAR300
wavelength [Å]	0.9872
resolution range [Å]	30-3.3 (3.42-3.30)
redundancy	8.4 (4.0)
R-merge [%]	9.9 (42.6)
no. of unique reflections	42.295 (2,791)
completeness	91.3 (51.6)
I/σ(I)	10.5 (1.4)
Refinement
R-work [%]	23.0
R-free [%]	30.7
reflections used in R-free [%]	5.0
overall average B-factor [Å²]	98.3
no. of non-solvent atoms	24,097
no. of ATP molecules	12
no. of solvent molecules, Mg²⁺ ions	67, 12
r.m.s.d. from ideal geometry
bonds [Å]	0.014
angles [°]	1.1
Ramachandran plot
favored region [%]	99.1
outliers [%]	0.9