Hi Manoj, I think what you did is just fine. Once you have a model with an Rfree in the range of yours, the experimental data (MAD/SAD) has little to add to it. Your cell dimensions are similar but not the same, so merging datasets would introduce more error than it would reduce. There are frequently advantages to using a hires native dataset together with a lower-res SAD/MAD dataset, even if they are not identical, in the early stages of structure determination. All the best, Tom T

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Hi , I have data 2.4 A for a protein ( Se-Met derivative) unit cell dimensions. 53.098,60.207,142.382. I have used this data to solve the partial structure with phenix.autosol and phenix.autobuild. The model from this data was then used as MR model in phaser with another data set from a crystal at 2.2 A (group P212121 ) .unit cell dimensions are 53.86,61.47,142.49. Currently my R free is 23%. My question is 1) Is there a a better way to use the two datasets. can I merge the reflection files from two datasets and does using a merged reflection file have an advantage over the strategy I used.

2) Although not directly related to phenix I was wondering can we use the merged reflection file for PDB depositions?

Thanks . I will greatly appreciate any suggestions and guidance in this regard

Manoj _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb