wwPDB validation report of PDB entry 1LTS

THIS IS THE UNNICKED AND UNREDUCED FORM OF THE TOXIN.

MEAN TEMPERATURE FACTORS ARE HIGH. (SEE SUBUNIT NUMBERING SCHEME, REMARK 10).

REFINED STRUCTURE OF E. COLI HEAT LABILE ENTEROTOXIN, A CLOSE RELATIVE OF CHOLERA TOXIN

ROTATION MATRICES HAVE BEEN INCLUDED FOR PARTIAL
NON-CRYSTALLOGRAPHIC FIVEFOLD SYMMETRY OF THE B SUBUNITS.
ROTATIONS ACT ON CARTESIAN COORDINATES, WITH THE ORIGIN
AS CENTER OF ROTATION (NO TRANSLATION ALONG THE FIVEFOLD
AXIS). RMS DEVIATION FOR ALL 515 ALPHA CARBONS OF
THE B SUBUNIT IS 0.6 ANGSTROMS. (SUPERPOSITION OF
INDIVIDUAL B SUBUNITS GIVES BETTER VALUES OF 0.20 - 0.45
ANGSTROMS).

ROTATIONS INCLUDED IN MTRIX CARDS RELATE B-PENTAMERS VIA
FIVEFOLD AXIS:
KAPPA PHI PSI RELATING
288.0 0.4 96.0 B1 TO B2 (MTRIX1)
216.0 0.4 96.0 B1 TO B3 (MTRIX2)
144.0 0.4 96.0 B1 TO B4 (MTRIX3)
72.0 0.4 96.0 B1 TO B5 (MTRIX4)

THE TRANSFORMATION PRESENTED AS *MTRIX 1* BELOW WILL YIELD
APPROXIMATE COORDINATES FOR CHAIN *E* WHEN APPLIED TO
CHAIN *D*. THE TRANSFORMATION PRESENTED AS *MTRIX 2*
BELOW WILL YIELD APPROXIMATE COORDINATES FOR CHAIN *F*
WHEN APPLIED TO CHAIN *D*. THE TRANSFORMATION PRESENTED AS
*MTRIX 3* BELOW WILL YIELD APPROXIMATE COORDINATES FOR
CHAIN *G* WHEN APPLIED TO CHAIN *D*. THE TRANSFORMATION
PRESENTED AS *MTRIX 4* BELOW WILL YIELD APPROXIMATE
COORDINATES FOR CHAIN *H* WHEN APPLIED TO CHAIN *D*.

The largest off-origin peak in the Patterson function is 4.55% of the height of the origin peak. No significant pseudotranslation is detected.

20191225.v01 (using entries in the PDB archive December 25th 2019)

structure factor analysis and validation

geometric validation package for ligand chemistry in protein x-ray structures