6X6H

Structure of Shiga toxin 2 with a C-terminal peptide of ribosomal P stalk proteins

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-06
Detector	ADSC HF-4M
Wavelength(s)	0.979
Spacegroup name	P 2 21 21
Unit cell lengths	82.148, 85.226, 98.841
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.753 - 1.880
R-factor	0.1696
Rwork	0.168
R-free	0.20560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r4p
RMSD bond length	0.006
RMSD bond angle	0.671
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.910
High resolution limit [Å]	1.875	5.100	1.880
Rmerge	0.380	0.098	3.065
Rmeas	0.387	0.100	3.138
Rpim	0.072	0.019	0.656
Number of reflections	57068	3062	2805
<I/σ(I)>	2
Completeness [%]	99.7	98.6	99.4
Redundancy	28.1	27.6	22.5
CC(1/2)		0.999	0.339

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	295	100 mM Sodium Acetate pH 4.5, 100 mM NaCl, 30% PEG 200