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3CSL: Difference between revisions
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[[File:3csl-ccmap.png]] | [[File:3csl-ccmap.png]] | ||
Then we try to get a poly-ala backbone tracing: | Then we try to get a poly-ala backbone tracing, using the 16 Se sites found by SHELXD: | ||
shelxe.beta -a -q -m15 -s0.725 -b -h16 -n2 -i mad mad_fa | shelxe.beta -a -q -m15 -s0.725 -b -h16 -n2 -i mad mad_fa | ||
This does not yield a complete chain, but rather about 50% of it, and the CC is slightly less than 20%, so that we cannot consider the structure as solved yet. However, the phases are good enough for finding 2 additional sites. We iterate this, and finally the Se sites all have a density of at least 20 sigma. The model from shelxe as well as the deposited structure are shown below: | |||
[[File:3csl-mad_i.png]] [[File:3csl-final.png]] | |||
No doubt that one can solve the structure from here, maybe after HA refinement with SHARP, and model building with buccanneer or Arp/wArp. | |||
== Availability of data == | |||
There are files with amplitudes (3csl-pk-F.mtz, 3csl-rh-F.mtz, 3csl-ip-F.mtz) and intensities (3csl-pk-I.mtz, 3csl-rh-I.mtz, 3csl-ip-I.mtz) as well as mad_i.pdb and mad_i.phs (written by SHELXE) available from [ftp://turn5.biologie.uni-konstanz.de/pub/xds-datared/3csl/]. | |||
=== additional information for those who want to solve the structure === | |||
This is the sequence of HasR and HasA - before solving the structure it was not known that the N-terminus of HasR was disordered. | |||
<pre> | |||
AQAEASSAQAAQQKNFNIAAQPLQSAMLRFAEQAGMQVFFDEVKLDGMQAAALNGSMSVEQGLRRLIGGNPVAFRLQPQGQIVLSRLPTANGDGGALALD | |||
SLTVLGAGGNNANDWVYDEPRSVSVISREQMDNRPARHAADILEQTTGAYSSVSQQDPALSVNIRGIQDYGRVNMNIDGMRQNFQKSGHGQRNGTMYIDS | |||
ELLSGVTIDKGTTGGMGSAGTLGGIATFNTVSASDFLAPGKELGGKLHASTGDNGTHFIGSGILALGNETGDILLAASERHLGDYWPGNKGDIGNIRINN | |||
DTGNYDRYAESIKNNKIPDTHYRMHSRLAKVGWNLPANQRLQLSYLQTQTASPIAGTLTNLGTRPPYELGWKRTGYTDVMARNAAFDYSLAPEDVDWLDF | |||
QAKLYYVDTQDDSDTYSTSSLLDNGYATRTRLRTYGAQAQNTSRFSLAPGHDFRANYGLEFYYDKATSDSSRQGMEGVTPAGNRSVASLFANLTYDYDGW | |||
LTLEGGLRYDRYRLRGQTGLSYPDLAKDGQRYTIDNPCKALRLTGCSTTTREDWDVDRDQGKLSPTLAVAVRPGVEWLELYTTYGKSWRPPAITETLTNG | |||
SAHSSSTQYPNPFLQPERSRAWEVGFNVQQPDLWFEGDRLVAKVaYFDTKVDNYINLAIDRNKPGLVQPSIGNAAYVNNLSKTRFRGLEYQLNYDAGVFY | |||
ADLTYTHMIGKNEFCSNKAWLGGRLRYGDGSRRGNFYVEPDAASNDFVTCDGGTQFGSAAYLPGDRGSVTLGGRAFDRKLDAGVTVRFAPGYQDSSVPSN | |||
YPYLADWPKYTLFDLYASYKLTDSLTLRGSVENLTNRAYVVSYGETLANTLGRGRTVQGGVEYRF | |||
MRGSHHHHHHGIRMRARYPAFSVNYDSSFGGYSIHDYLGQWASTFGDVNH | |||
TNGNVTDANSGGFYGGSLSGSQYAISSTANQVTAFVAGGNLTYTLFNEPA | |||
HTLYGQLDSLSFGDGLSGGDTSPYSIQVPDVSFGGLNLSSLQAQGHDGVV | |||
HQVVYGLMSGDTGALETALNGILDDYGLSVNSTFDQVAAATAVGVQHADS | |||
PELLAA | |||
</pre> | |||