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. 2021 Jul 1;29(7):731–742.e6. doi: 10.1016/j.str.2021.03.001
REAGENT or RESOURCE SOURCE IDENTIFIER
Bacterial and Virus Strains
E. coli BL21 Star (DE3): F- ompT hsdSB
(rB- mB-) gal dcm rne131 (DE3)		 Invitrogen Cat# C601003
E. coli B834 (DE3) - F- ompT hsdSB
(rB- mB-) gal dcm met (DE3)		 Novagen Cat# 69401
E.coli Rosetta 2 (DE3). F- ompT hsdSB(rB- mB-) gal dcm (DE3) pRARE2 (CamR) Novagen Cat# 71405
E. coli BL21 Star pRosetta2 (DE3) - F- ompT hsdSB (rB- mB-) gal dcm rne131 pRARE (DE3) Lloyd et al. (2008) N/A
E. coli C41 (DE3) (a derivative of BL21(DE3) [F_ ampT hsdS8 (r8m8)gal dcm DE3]) pRIL (CamR) Lloyd et al. (2008) N/A
E. coli B834 (DE3): pRosetta2 - F- ompT hsdSB (rB- mB-) gal dcm met pRARE2 (DE3) Novagen Cat# 69041
M. flavus (M. luteus) (Stanley130.21) NCIMB Cat# 8166
Chemicals, Peptides, and Recombinant Proteins
Poly(ethylene glycol) 8000 Fluka Cat# 81272
L-Alanine, [2,3-3H] Moravek Cat# MT-886
Lipid II (Lys) BACWAN/Lloyd et al. (2008) Cat# C55-LII-5K
Phosphatidylglycerol
L-alpha-Phosphatidyl-DL-glycerol sodium salt from egg yolk lecithin, =99% (TLC), lyophilized powder		 MERCK LIFE SCIENCE UK LTD Cat# P8318
Cardiolipin
Cardiolipin sodium salt from bovine heart, =98% (TLC), lyophilized powder		 MERCK LIFE SCIENCE UK LTD Cat# C0563
JCSG-plus™ crystallization screen Molecular Dimensions Cat# MD1-37
PACT premier™ crystallization screen Molecular Dimensions Cat# MD1-29
Morpheus® crystallization screen Molecular Dimensions Cat# MD1-46
Cobalt TALON resin Takara Cat# 635502
Nickel- Chelating Sepharose Cytiva Cat# 17526801
Superdex 75 Size exclusion media Cytiva Cat# 17104404
Sephacryl S200 size exclusion media Cytiva Cat# 17058401
Selenomethionine Acros Organics Cat# 259960025
Tomato etch virus (TEV) Protease New England Biolabs Cat# P8112
BsaI New England Biolabs Cat# R0535S
Xho1 New England Biolabs Cat# R0146S
Hen egg white lysozyme MERCK LIFE SCIENCE UK LTD Cat# L6976
Deposited Data
S. aureus FemX This paper PDB: 6SNR
Oligonucleotides
FemX Forward TTTGCGGGTGGTCTCCCATGGAAA
AGATGCATATCACTAATCAGG		 IDT DNA N/A
S. aureus FemX Reverse
TTTGCGCTCGAGGCCCTGAAAATACAG
GTTTTCTTTTCGTTTTAATTTACGAGATA
TTTTAATTTTAGC		 IDT DNA N/A
Recombinant DNA
pRosetta 2 (purified from Escherichia coli Rosetta™ 2 (DE3)) Novagen Cat# 71405
pET28a(+) Novagen Cat# 69864
pET21b::MurM159 Lloyd et al. (2008) N/A
pET26b::alaRS Lloyd et al. (2008) N/A
pET28::FemX This paper N/A
Software and Algorithms
GraphPad Prism Version 8.4.1. GraphPad Soft-ware, San Diego, CA, USA. www.graphpad.com
Xia2 Winter (2010) https://xia2.github.io/
XDS package Kabsch (2010) http://xds.mpimf-heidelberg.mpg.de
SHELX suite Sheldrick (2010) https://www.shelxle.org/shelx/eingabe.php
ARP/wARP Langer et al. (2008) https://www.embl-hamburg.de/ARP/
REFMAC Vagin et al. (2004) https://www2.mrc-lmb.cam.ac.uk/groups/murshudov/content/refmac/refmac.html
COOT Emsley et al. (2010) https://www2.mrc-lmb.cam.ac.uk/personal/pemsley/coot/
MODELLER Eswar et al. (2006); Martí-Renom et al., 2000; sali and Blundell (1993); Fiser et al. (2000) https://salilab.org/modeller/
Chimera (Version 1.13.1) Pettersen et al., (2004) https://www.cgl.ucsf.edu/chimera/
Discrete Optimized Protein Energy (DOPE-HR) Shen and sali (2006)
Statistically Optimized Atomic Potentials (SOAP) Dong et al. (2013) https://github.com/salilab/SOAP
PyMOL (Version 2.2.0) Schrodinger, LLC. 2010. The PyMOL Molecular Graphics System, Version 2.1.0 https://pymol.org/2/#download
Avogadro2 software Hanwell et al. (2012) https://www.openchemistry.org/downloads/
AutoDock Vina Trott and Olson (2010) http://vina.scripps.edu/download.html
HADDOCK web server Van Zundert et al. (2016) https://bianca.science.uu.nl/haddock2.4/
GROMACS package (Version 2018) Abraham et al. (2015) http://www.gromacs.org/
Auto-mated topology builder (ATB) web-interface Malde et al. (2011) https://atb.uq.edu.au/
PyCGTOOL Graham et al. (2017) https://pypi.org/project/pycgtool/
CHARMM-GUI web interface Jo et al. (2017) http://charmm-gui.org/
backward script Wassenaar et al. (2014) http://www.cgmartini.nl/index.php/downloads/tools/240-backward
Particle mesh Ewald (PME) algorithm Darden et al. (1993) N/A
Visual Molecular Dynamics (VMD) Humphrey et al. (1996) https://www.ks.uiuc.edu/Research/vmd/