6CF1

Proteus vulgaris HigA antitoxin structure

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	2013-03-02
Detector	PSI PILATUS 6M
Wavelength(s)	0.97950
Spacegroup name	C 1 2 1
Unit cell lengths	104.610, 40.700, 45.320
Unit cell angles	90.00, 105.50, 90.00

Refinement procedure

Resolution	43.672 - 1.900
R-factor	0.1843
Rwork	0.180
R-free	0.21810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mct
RMSD bond length	0.014
RMSD bond angle	1.348
Data reduction software	XDS (VERSION May 1, 2016)
Data scaling software	XSCALE (VERSION May 1, 2016)
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.672	2.000
High resolution limit [Å]	1.900	1.900
Rmeas	0.123	0.718
Number of reflections	14531	2046
<I/σ(I)>	11.38	2.62
Completeness [%]	98.9	99.4
Redundancy	6.5	6.5
CC(1/2)	0.997	0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	0.2 M NaSCN and 20% w/v polyethylene glycol 3,350