Re: [ccp4bb] High Rwork/Rfree values

2013-06-25 Thread Haiying Bie
Hi, Phil, Sorry for the confusion. I did use MR solution/data combination to run Refmac and I did reindex the data and re-run MR with the reindexed MTZ file and run refmac. Both gave the above given high Rwork/Rfree values (0.35/0.41). If I refine the original MTZ native data file with the PDB

Re: [ccp4bb] High Rwork/Rfree values

2013-06-24 Thread Phil Jeffrey
Haiying, As far as I can tell you've got a successful solution in molecular replacement via Phaser and then gone and refined it in the wrong space group. Based on what you've told us: you took your initial data in primitive orthorhombic and solved for the structure in Phaser while sampling

[ccp4bb] High Rwork/Rfree values

2013-06-24 Thread Haiying Bie
Hi, all I have encountered the high Rwork/Rfree values. Here is the story: The glycosylated native protein structure is solved in the P212121 with unit cell parameters of 72.6, 78.0, and 112.5 and the all solution statistics are perfectly fine. I am trying to crystallize and solve the structure o

[ccp4bb] High Rwork/Rfree values

2013-06-24 Thread Haiying
Hi, all I have encountered the high Rwork/Rfree values. Here is the story: The glycosylated native protein structure is solved in the P212121 with unit cell parameters of 72.6, 78.0, and 112.5 and the all solution statistics are perfectly fine. I am trying to crystallize and solve the structure