4RZS

Lac repressor engineered to bind sucralose, unliganded tetramer

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	2014-10-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	91.090, 111.600, 189.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	94.490 - 2.710
R-factor	0.2029
Rwork	0.199
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.566
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	94.490		2.780
High resolution limit [Å]	2.710	12.110	2.710
Rmerge	0.069	0.040	0.461
Number of reflections	36390	679	119
<I/σ(I)>	15.19	32.71	3.87
Completeness [%]	68.2	98.4	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	16% polyethylene glycol 3350, 200 mM ammonium nitrate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K