4YZV

Precleavage 70S structure of the P. vulgaris HigB deltaH92 toxin bound to the ACA codon

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-14
Detector	RAYONIX MX300HE
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	214.199, 453.266, 609.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.932 - 3.100
R-factor	0.205
Rwork	0.203
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3I9B and 3I9C
RMSD bond length	0.004
RMSD bond angle	0.860
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000		3.200
High resolution limit [Å]	3.100	30.000	3.100
Rmerge	0.202	0.141	0.720
Rmeas	0.230	0.170	0.829
Total number of observations	4586438
Number of reflections	1053912	872	91547
<I/σ(I)>	5.65	3.25	1.84
Completeness [%]	99.3	64.4	95.5
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	4% PEG 20k, 4% PEG550 MME, 0.1M TRIS-ACETATE, 0.2M KSCN