Re: [ccp4bb] rigid body vs restrained refinement

2012-07-19 Thread Pavel Afonine
Norman, the value of free-R alone doesn't tell a whole lot, though the numbers you quote seem good given the resolution. What's Rwork? The behavior of free-R you tell is also totally expected: in rigid-body refinement there are way less refinable parameters! Most likely you should proceed with ind

[ccp4bb] rigid body vs restrained refinement

2012-07-19 Thread Norman zhu
hello everyone I just noticed my model would give two very different Rfree values from refmac depending which mode I use to refine it. Rigid body it gives a Rfree value of 24.57% while restrained refinement gives a value of 27.96%. Both are processed at 3.1angstrom resolution. I am conf