PPT-Refinement is the process of adjusting an atomic model to:

Maximize agreement with diffraction data Minimize Rfactor Maximize ideality of stereochemistry Minimize deviation from ideal bond lengths and angles S F obs F calc S F obs hkl hkl. Chapter 3. 1. Adjusting Attack. 2. Accrual versus cash-basis accounting & key elements of accrual accounting. Adjusting entries, why, what, how. Using the worksheet. to facilitate the process. Accrual versus cash-basis accounting. wwPDB/CCDC/D3R Ligand Validation Workshop. Center for Integrative Proteomics Research, . Rutgers. 7/30-31/2015. Group D, Academic and Industrial Crystallographers:. Kathleen . Aertgeerts. (co-chair) . Maximize agreement with diffraction data. Minimize R-factor. Maximize ideality of stereochemistry. Minimize deviation from ideal bond lengths and angles. S. |F. obs. -F. calc. |. S. |F. obs. |. hkl. hkl. Swanand. Gore & Gerard . Kleywegt. May 6. th. 2010, 12-1 pm. Macromolecular Crystallography Course. Outline. Intuitive idea of resolution – why higher order diffraction is better.. Parameters, model, observations, refinement – more data is better.. for Concurrent Programs. Shaz Qadeer. The refinement approach. P is safe. P = P. 0. refines P. 1 . … P. k-1. refines . P. k. is safe. Abstraction. Refinement. Layered proof could be simpler both for human and computer. Chemistry. Videos . Atomic Theory: Dalton, Democritus, Thomson, Rutherford, and Quantum. History of the . atom. . History of the atom Video #2. The Development of the Atomic Theory. J.J. Thomson . Contribution. procedure for . native structure. phenix.refine. . yourcoords.pdb. . m230d_2017_scaled.mtz . refinement.input.xray_data.labels. =". FP_native-cris. . SIGFP_native-cris. “ . output.prefix. =. nativeround1. Lewis & Clark Workshop. Macromolecular Crystallography. © Michael S. Chapman. 11/6/2009. Michael S. Chapman (Oregon Health & Science University). 1. Model-Building. Part I – Mostly to be replaced by practical. __(1)___ is anything that has mass and takes up space.. All matter is made up of ___(2)__.. Convert the following. .56 L= _(3)_ mL. 34.8 dm = _(4)__ dam. __(5)__ are created by combining an acid and a base.. Review for Quiz. Match the Atomic Model to the Person who designed the model.. Use the Models Above . Niels. Bohr. John Dalton. Ernst Rutherford. J.J. Thomson. Niels. Bohr - D. John Dalton - A. Ernst Rutherford - C. Science is based off of observations.. A Scientific Law is a summary of what is seen in observations. . A Scientific Theory is an explanation of why these observations are occurring.. Both laws and theories are tested by using them to predict what would happen in certain situations.. -EM maps. Garib Murshudov. MRC-LMB, Cambridge, UK. Contents. Importance of phases. Fit into EM maps: likelihood and restraints. Overfitting. Effect of . oversharpening. Form factors. Brown et al, (2015) Tools for macromolecular model building and refinement into electron . Science is based off of observations.. A Scientific Law is a summary of what is seen in observations. . A Scientific Theory is an explanation of why these observations are occurring.. Both laws and theories are tested by using them to predict what would happen in certain situations.. From a solved structure to the final model. Robbie P. Joosten. Netherlands Cancer Institute. CCP4-Diamond school 2015 . PDB_REDO. We want to know.... What are a protein’s function and mechanism?. How can we manipulate them.