Skip to main content

View full-text article in PMC

. Author manuscript; available in PMC: 2014 Apr 2.

Published in final edited form as: Nat Struct Mol Biol. 2013 Jan 13;20(2):230–236. doi: 10.1038/nsmb.2485

Table 1.

Data collection and refinement statistics

Data collection
Structure name	WT22Efv (4B30)	DA29Nvp (4B3P)	DN25Nvp (4B3Q)
Space group	P3₁21	P6₁22	R32
Cell dimensions
a, b, c (Å)	164.6, 164.6, 129.0	163.0, 163.0, 229.5	272.7, 272.7, 233.1
Resolution (Å)^*	30–3.3 (3.45–3.3)	50–4.85 (5.02–4.85)	30.0–5.0 (5.09–5.00)
R_sym (%)^*	6.7 (71.6)	15.9 (62.9)	13.9 (87.1)
Mean I/σI^*	17.5 (2.3)	14.7 (2.1)	14.8 (1.7)
Completeness (%)^*	98.2 (99.9)	99.7 (99.0)	99.6 (100)
Redundancy^*	4.2 (4.2)	11.6 (7.5)	6.5 (6.8)
Refinement
Resolution (Å)	30.0–3.3	46.0–4.8	30.0–5.0
No. of reflections	30184	9023	13005
R_work/R_free	27.5 / 29.5	36.4 / 40.4	36.1 / 40.7
No. of atoms
Protein / nucleic acid	7543 / 947	7284 / 878	7535 / 878
Drug / Ca²⁺	21 / 2	0 / 0	20 / 0
B-factors
Protein / nucleic acid	80.6 / 81.8	188.9 / 193.2	149.0 / 149.8
Drug / Ca²⁺	71.0 / 75.6		147.0 / -
R.m.s. deviations
Bond distances (Å)	0.008	0.008	0.008
Bond angles (°)	0.88	0.81	0.80

^*

Highest resolution shell is shown in parenthesis.