4YPB

Precleavage 70S structure of the P. vulgaris HigB DeltaH92 toxin bound to the AAA codon

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-07-29
Detector	PSI PILATUS 6M
Wavelength(s)	0.97920
Spacegroup name	P 21 21 21
Unit cell lengths	214.112, 453.875, 607.594
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.932 - 3.400
R-factor	0.2035
Rwork	0.202
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3I9B and 3I9C
RMSD bond length	0.005
RMSD bond angle	0.836
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		3.500
High resolution limit [Å]	3.400	35.000	3.400
Rmerge	0.213	0.014	1.047
Rmeas	0.234	0.017	1.148
Total number of observations	4745905
Number of reflections	794344	671	66224
<I/σ(I)>	8.24	45.1	1.75
Completeness [%]	98.9	76.7	99.6
Redundancy	6		6

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
1	VAPOR DIFFUSION, SITTING DROP	7	293	4% PEG 20k, 4% PEG550 MME, 0.1M TRIS-ACETATE, 0.2M KSCN