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. Author manuscript; available in PMC: 2014 Jun 21.
Published in final edited form as: ACS Chem Biol. 2013 Mar 29;8(6):1223–1231. doi: 10.1021/cb300611p

Table 1.

Crystals and data collection.

Protease/Inhibitor Compound Space Group Cell Dimensions Morphology Crystallization Conditions Flaps Resolution Data Source
NL4-3
TL-3
(3KFR)		 1F1 P212121 28.72
65.57
92.36		 Blocks 0.5 M KSCN, 0.1 M MES- HCL, pH 5.8, 10% DMSO Closed 1.3 Å
SRRLa
NL4-3
pepstatin
(4EJD)		 1F1 P212121 28.82
65.63
92.93		 Blocks 0.2 M KBr, 0.2M KSCN, 0.1M NaCacodylate pH 6.5, 3% PGA-LM, 10% DMSO, 3% MPD Closed 1.1 Å
SSRL
AR-PR
(apo)
(4EJ8)		 1F1 P212121 28.95
66.53
91.71		 Long needles 0.1M Tris pH 7.5, 28% PEG 4K, 10% DMSO Invertedb 2.5 Å
Bruker
NL4-3
pepstatin
(4EJK)		 1F1-N P212121 28.65
65.79
92.05		 Rods 1.0 M NaFormate, 0.1 M NaOAc pH 4.6, 10% DMSO Closed 1.8 Å
Bruker
AR-PR
(apo)
(4EJL)		 1F1-N P212121 28.82
65.91
92.51		 Small rods 0.8 M NaFormate, 0.1 M NaOAc pH 5.5, 15% PEG4K Closed 2.0 Å
Bruker
a

Reference (16)

b

Inverted = closed conformation of the flaps with reversed “handedness”