Re: [ccp4bb] Recommendations for Robotic Crystal Screening Services

2017-04-15 Thread Edward Snell
Hi Steven, In a word, lots :) In somewhat more detail If this is a request to the CCP4 community, then the images and crystallization metadata from the Hauptman-Woodward Medical Research Institute High-Throughput Crystallization Center are packed in a rar format and users of the Center

Re: [ccp4bb] in crystallo enzymatic activity

2017-04-15 Thread Steven Herron
Yes, the pH optimum of a reaction can be changed with a mutation of one of the catalytic residue or with a neighboring non-catalytic residue. A classic example is the K166R mutation of mandelate racemase. see: Biochemistry. 1995 Mar 7;34(9):2788-97

Re: [ccp4bb] Recommendations for Robotic Crystal Screening Services

2017-04-15 Thread Steven Herron
Does the Hauptman-Woodward Medical Research Institute have any sample data-sets, so we can see what the results look like? On 4/14/2017 8:58 AM, Edward Snell wrote: Dear Elizabeth, The High-Throughput Crystallization Screening Center and the Hauptman-Woodward Medical Research Institute

Re: [ccp4bb] Refmac5 twin refinement pushing Rfree surprisingly down

2017-04-15 Thread Eleanor Dodson
Yes - convincing.. Follow Jacob's advice and see how the maps look. Eleanor On 15 April 2017 at 06:04, Alex Lee wrote: > Thanks Eleanor, > If I understand right, there is just 1 TFZ. TFZ== means "Translation > Function Z-score equivalent, only calculated for the top