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Refinement quantity and quality
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How to Achieve Higher Throughput and Maintain Quality & Consistency
New People for refinement and QC New / improved tools to streamline the process Increased automation Improved documentation -- Standards
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Goals for Structures Accurate Conservative – don’t over interpret
Build complete structures Automation & standardization Data quality Efficient / fast
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Goals for QC Ensures standards are applied uniformly
Provides a second opinion
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Comparison of R and R-free
R-factor R-free
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Improved Documentation
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New Refinement Summary Document
A refinement summary is prepared for each target. Puts structure in context 1) Overall rating 2) Structure overview 3) Sequence comparisons 4) Structural comparisons 5) Ligand description 6) Literature
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New Tools -- Refinement Checkout
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New Tools – Automated QC checks
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QC Check Results R/R-free analysis Nominal Resolution Map correlation
Refinement protocol (NCS, TLS, etc) Sequence Nomenclature
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Structures in Refinement/QC by date
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Time to Deposition by Year
Year Solved
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Phasing to Deposition by Resolution
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Increasing Throughput
New Refiners New QC checks Improved automation / model completion Standardization
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