Re: [ccp4bb] Phaser solution and solvent content for arp warp

2015-06-30 Thread Edward A. Berry
A little bit confused about the 30 molecules. Superimposed models from the nmr structure in one or two copies ofone ensemble? Anyway, Arp-warp just uses the model to calculate phases for an initial map. How about forgo the model and give it a map with phases from the successful phaser run? It l

Re: [ccp4bb] Phaser solution and solvent content for arp warp

2015-06-29 Thread Roger Rowlett
I think I would be tempted to chainsaw one of the ensemble chains of 2IT8 (they look very similar except for side-chain disposition) and use 1 or 2 of these as search models in a Phaser run. If this works, you should see good Z-values and the final result inspected in Coot should show good mole

Re: [ccp4bb] Phaser solution and solvent content for arp warp

2015-06-29 Thread Keller, Jacob
Just throw your phaser-placed model into Buccaneer JPK From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of xaravich ivan Sent: Monday, June 29, 2015 3:10 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Phaser solution and solvent content for arp warp Hi everyone, I think I

[ccp4bb] Phaser solution and solvent content for arp warp

2015-06-29 Thread xaravich ivan
Hi everyone, I think I have finally got a solution in Phaser (screen shot attached) as the TFZ is 10. However the solution PDB has 30 molecules in it as the search model was an NMR solution. As I have 0.944 Angs resolution data pretty complete, I thought of building the initial model in ArpWarp. I