Rational mutagenesis to support structure-based drug design: MAPKAP kinase 2 as a case study

BMC Structural Biology

Table 5 Seven MK2 crystal forms.

Form	Construct(s)	Crystallization Conditions *	Space Group	Unit Cell (a, >b, c, Å)	Res. (Å) N†	Notes
I	MK2(41–364) & MK2(47–366) surface mutants ‡	AS, LS, & NP pH 5–8	N.D.	N.D.	>11 N.D.	Rods; high mosaicity
II	MK2(41–364) & MK2(47–366) surface mutants ‡	AS, LS, & NM pH 5–8	N.D.	N.D.	>11 N.D.	Plates; high mosaicity
III	MK2(47–366)	2 M AS 0.1 M Na citrate pH 5.0 4% 1,4-butanediol	P 2₁3	215	3.4 4	Cubes
IV	MK2(47–366, T222E)	2 M NM pH 5.5 10 μM Anapoe 80	F 4₁32	254	2.9 1	Bipyramids; inhibitor soaking req'd
V	MK2(41–364)	1.5–1.8 M NM pH 8.0	P 6₃	158 158 138	2.6–3.3 4	Hex. bullets; co-crystals
VI	MK2(41–364)	1.5–1.8 M NM pH 8.0	P 6₃	144 144 152	2.6–3.3 4	Hex. bullets; co-crystals; "collapsed" Form V
VII	MK2(41–364)	1.75 M AS 0.1 M Na citrate pH 8.0	P 2₁2₁2₁	140 180 215	2.6–3.3 12	Sharp blocks; co-crystals

* AS – (NH₄)₂SO₄; LS – Li₂SO₄; NM – sodium malonate; NP – sodium phosphate.
† Resolution of diffraction. N – MK2 molecules/crystallographic asymmetric unit.
‡ Constructs 23, 24, 26, 27, 29, 32, 33, 35, and 36 (Form I), and 9, 24, and 33 (Form II) in Additional File 1 Table S7.

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