RECIPES

Selection of previously unknown structures and description of parameterization used in their solution

table

4k82

4LUN, A highly conserved region essential for NMD in the Upf2 N-terminal domain Fourati Z, et al., 2014.

310 aa, P21 at 1.45 Å resolution.

ARCIMBOLDO_LITE, search fragments: 1 ideal helix of 16 alanines originally solved on a grid of 240 cores but solved as well on a machine of 8 cores.
SHELXE_line: -m30 -a10 -s0.5 -v0 -t20 -q -y1.45 -o


4K82

4K82, Unique Crystal Structure of a Novel Surfactant Protein from the Foam Nest of the Frog Leptodactylus vastus Cavalcante Hissa D, et al., 2014.

204 aa, P21 at 1.7 Å resolution.

ARCIMBOLDO_LITE, search fragments: 2 ideal helices of 14 alanines originally solved on a grid of 240 cores but solved as well on a machine of 8 cores.
SHELXE_line: -m10 -a3 -s0.6 -v0 -t20 -q -y1.7


4e1p

4E1P, The structure of the oligomerization domain of Lsr2 from Mycobacterium tuberculosis reveals a mechanism for chromosome organization and protection Summers EL, et al., 2012.

112 aa, P21 at 1.8 Å resolution.

ARCIMBOLDO_LITE, search fragments: 2 ideal helices of 12 alanines originally solved on a grid of 240 cores but solved as well on a machine of 8 cores.
SHELXE_line: -m30 -a3 -s0.45 -v0 -t20 -q -e1.0 -o -y1.8


4wg0

4WG0, Structure of a 13-fold superhelix (almost) determined from first principles Schoch GA, et al., 2015.

182 aa, C2 at 1.82 Å resolution.

ARCIMBOLDO_LITE, search fragments: 6 ideal helices of 10 alanines solved on a machine of 8 cores.
SHELXE_line: -m30 -a3 -s0.65 -v0 -t20 -q -y1.82


4AEQ

4AEQ, The crystal structure of the dimeric colicin M immunity protein displays a 3D domain swap Usón I, et al., 2012.

90 aa, C2221 at 1.9 Å resolution.

ARCIMBOLDO_LITE, search fragments: 1 ideal helix of 12 alanines originally solved on a grid of 240 cores but solved as well on a machine of 8 cores.
SHELXE_line: -m100 -a5 -s0.5 -v0 -t10 -q -y1.9


3GWH

3GWH, Crystallographic ab initio protein structure solution below atomic resolution Rodríguez DD, et al., 2009.

222 aa, P21 at 1.95 Å resolution.

ARCIMBOLDO_LITE, search fragments: 3 ideal helices of 14 alanines originally solved on a grid of 100 cores but solved as well on a machine of 8 cores.
SHELXE_line: -m15 -a8 -s0.5 -v0 -u500 -t10 -q -y1.95