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. Author manuscript; available in PMC: 2008 Aug 18.

Published in final edited form as: Biochemistry. 2006 Oct 24;45(42):12687–12694. doi: 10.1021/bi061435n

Table 1.

Crystallographic data and refinement statistics

	native	native	Se derivative
Space group	P2₁2₁2	P2₁	P2₁
Wavelength (Å)	0.82653	1.12714	0.97982
Resolution (Å)	48−2.1	50−1.8 (1.86−1.80)^a	50−2.7 (2.80−2.70)
a, b, c (Å); α, β, γ (°)	119.4, 147.7, 96.04, 90, 90, 90	90.9, 118.1, 97.1, 90, 110.8, 90	90.4, 117.6, 96.7, 90, 111, 90
Redundancy	2.6	1.1	5.2
Completeness (%)	90.83	97.4 (99.4)	99.0 (91.0)
R _merge ^b	0.049	0.055 (0.587)	0.079 (0.373)
R_work / R_free^c	0.237/0.286	0.240/0.267
No. of ordered waters	129	153
No. of atoms	11646	11652
B-factor (Å²)	42.5	38.9
RMSD bond lengths (Å)	0.014	0.012
RMSD bond angles (deg)	1.558	1.4

^a

All values in parentheses are for the last shell.

^b

R_merge=Σ(|I—<I>|)/Σ (I) for all data.

^c

R=Σ∥F_obs—F_calc /Σ|F_obs| for all data. R_free uses 5% of data for the test set.