MolProbity for Crystallographers Tutorial

	1. MolProbity Analysis Add H, calculate contacts, and assess geometry by running the MolProbity web service
	2. Rebuilding in KiNG Local backbone adjustments using KiNG
	3. MolProbity-style Validation in PHENIX and Coot PHENIX has built-in MolProbity tools, and can interactively call Coot, which in turn can show all-atom-contacts
	4. Further Exercises try one or more of these

(1.5MB) 2011Read_VTF_Struct19	Read, Adams, Arendall, Brunger, Emsley, Joosten, Kleywegt, Krissinel, Lütteke, Otwinowski, Perrakis, Richardson, Sheffler, Smith, Tickle, Vriend, & Zwart (2011) "A New Generation of Crystallographic Validation Tools for the Protein Data Bank" Structure 19: 1395-1412.
(1.6MB) 2010Chen_molProb_ActaD66	Chen, Arendall, Headd, Keedy, Immormino, Kapral, Murray, Richardson, & Richardson (2010) "MolProbity: all-atom structure validation for macromolecular crystallography" Acta Cryst D66:12-21.
(0.5MB) 2006DavisStr14	Davis, Arendall, Richardson, & Richardson (2006) "The backrub motion: How protein backbone shrugs when a sidechain dances" Structure 14: 265-274.
(0.4MB) 2005ArendallJFSG6	Arendall, Tempel, Richardson, Zhou, Wang, Davis, Liu, Rose, Carson, Luo, Richardson, & Wang (2005) "A test of enhancing model accuracy in high-throughput crystallography." J Struct Funct Genomics 6: 1-11.
(0.8MB) 2003LovellPsfg50	Lovell, Davis, Arendall, de Bakker, Word, Prisant, Richardson, & Richardson (2003) "Structure Validation by Cα Geometry: φ,ψ and Cβ Deviation." Proteins: Struct Funct Genetics 50: 437-450.
(0.3MB) 2000LovellPsfg40	Lovell, Word, Richardson, & Richardson (2000) "The Penultimate Rotamer Library." Proteins: Struct Funct Genetics 40: 389-408.
(804KB) 1999WordB	Word, Lovell, Richardson, & Richardson (1999) "Asparagine and Glutamine: Using Hydrogen Atom Contacts in the Choice of Side-chain Amide Orientation." J Mol Biol 285: 1735-47.

MolProbity for Crystallographers Tutorial :: 2011