View source for 1ZTV

== Crystal structure of (29342463) from Enterococcus faecalis V583 at 3.10 Å resolution ==

There are [http://www.jcsg.org/prod/scripts/data_repository/dataset_download.cgi?pdb_id=1ztv several datasets] available from the JCSG dataset archive (one needs an account for that!). The XDS data reductions are [https://{{SERVERNAME}}/pub/xds-datared/1ztv here].

native:
* [[11258_1]] : I/sigmaI for individual reflections (the fine-resolution list in CORRECT.LP) drops below 1 at 3.0 Å resolution. Space group is P212121 with a=91.91 b=92.50 c=119.60 Å. This corresponds to the deposited structure.

MAD:
* [[11859_1_E1]], [[11859_1_E2]], [[11859_1_E3]]: at wavelengths of 0.979694, 1.019859,  0.979571 (from the headers) these correspond to inflection, remote low and peak of a SeMet MAD experiment (these are guesses). This crystal is space group P65, with cell parameters a=b=114.28, c=52.4 Å. 

These data can be nicely analyzed using the hkl2map GUI.

 
SHELXC (Versions 2006/3) reports

 Correlation coefficients (%) between signed anomalous differences
 Resl.   Inf - 8.0 - 6.0 - 5.0 - 4.2 - 4.0 - 3.8 - 3.6 - 3.4 - 3.2 - 3.0 - 2.80
 LREM/PEAK  46.7  19.3  20.8  20.0   4.0   0.9  10.4   9.2   2.5  12.6   2.1
 LREM/INFL  54.1  29.8  24.1  16.3   1.1   6.4   9.8  12.3   2.2   2.3   0.6
 PEAK/INFL  90.5  77.8  72.5  63.2  61.6  53.7  44.0  44.0  40.9  34.3  30.5

[[Image:1ztv-self-anomcc.png]] [[Image:1ztv-anomcc.png]]

Searching 8 sites (after counting the Met in the sequence, and omitting the N-terminal one) with SHELXD-2006/3 with data to 3.3 A:

[[Image:1ztv-CCall-CCweak.png]] [[Image:1ztv-CCall-PATFOM.png]] [[Image:1ztv-histogram-CCall.png]] [[Image:1ztv-occupancy.png]]


SHELXE (290 residues, solvent content calculated as ) suggests P65 instead of P61:

[[Image:1ztv-contrast.png]] [[Image:1ztv-connectivity.png]]

The structure can almost be considered solved, and (for this resolution) the density is quite nice:

[[Image:1ztv-density.png]]

== References ==

* Pape T & Schneider TR (2004). HKL2MAP: a graphical user interface for phasing with SHELX programs. J. Appl. Cryst. 37:843-844.
* SHELXC: Sheldrick GM (2003). Goettingen University.
* SHELXD: Schneider TR, Sheldrick GM (2002). Substructure solution with SHELXD. Acta Cryst. D58:1772-1779.
* SHELXE: Sheldrick GM (2002). Macromolecular phasing with SHELXE. Z. Kristallogr. 217:644-650.