6UVU

Crystal structure of the AntR antimony-specific transcriptional repressor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-28
Detector	ADSC QUANTUM 315
Wavelength(s)	0.999
Spacegroup name	P 1 21 1
Unit cell lengths	51.690, 58.510, 53.490
Unit cell angles	90.00, 118.28, 90.00

Refinement procedure

Resolution	47.110 - 2.100
R-factor	0.224
Rwork	0.222
R-free	0.26250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1smt
RMSD bond length	0.007
RMSD bond angle	0.950
Data reduction software	iMOSFLM
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.110	2.175
High resolution limit [Å]	2.100	2.100
Rmerge	0.043	0.150
Rmeas	0.060	0.210
Number of reflections	16526	1653
<I/σ(I)>	13.87	4.62
Completeness [%]	98.0
Redundancy	2
CC(1/2)	0.986	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M HEPES sodium pH 7.5, 10% v/v 2-Propanol, 20% w/v Polyethylene glycol 4,000, 0.1 M TCEP