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. Author manuscript; available in PMC: 2017 Apr 19.

Published in final edited form as: Biochemistry. 2016 Apr 11;55(15):2269–2277. doi: 10.1021/acs.biochem.5b01287

Table I.

X-Ray Data Collection, Phasing and Refinement Statistics.

	SHP2 E76Q	SHP2 F285S	SHP2 S502P
Data Collection
Space group	P2₁	P2₁	P2₁
Cell dimensions
a, b, c, Å	45.5, 214.8, 55.4	45.8, 214.3, 55.5	45.2, 214.2, 55.5
α, β, γ, °	90.0, 95.6, 90.0	90.0, 96.1, 90.0	90.0, 95.6, 90.0
Resolution, Å	107.4–2.32 (2.33–2.32)	55.16–1.87 (1.94–1.87)	107.1–2.18 (2.19–2.18)
R _merge	13.6 (77.1)	14.2 (64.4)	8.6 (73.0)
l/σl	7.7 (2.1)	8.4 (1.7)	9.7 (2.1)
Completeness (%)	98.9 (98.2)	99.0 (98.1)	99.2 (99.7)
Multiplicity	3.4 (3.5)	2.5 (2.6)	3.4 (3.4)
Refinement
Resolution, Å	23.4 – 2.32	55.16 – 1.87	23.9 – 2.18
No. reflections	44,891	86,484	53,901
R_work /R_free	18.9 / 24.0	19.9 / 22.9	18.6 / 23.9
No. atoms	9,657	8,927	9,461
Wilson B-factor	44.86	17.02	43.4
R.m.s deviations
Bond lengths, Å	0.010	0.006	0.010
Bond angles, °	1.13	0.86	1.09

^*

Highest resolution shell is shown in parentheses.