4WXE

CRYSTAL STRUCTURE OF A LACI REGULATOR FROM LACTOBACILLUS CASEI (LSEI_2103, TARGET EFI-512911) WITH BOUND TRIS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-12
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	H 3 2
Unit cell lengths	108.047, 108.047, 121.477
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.473 - 1.500
R-factor	0.147
Rwork	0.146
R-free	0.16810
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.262
Data reduction software	MOSFLM
Data scaling software	Aimless
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.473	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.123	0.952
Rpim	0.027	0.207
Total number of observations	964401	46843
Number of reflections	43692
<I/σ(I)>	21.5	4.2
Completeness [%]	100.0	100
Redundancy	22.1	21.9
CC(1/2)	0.999	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	Protein (30.7 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT); Reservoir ((MCSG4 F4), 0.2 M Magnesium Chloride, 0.1 M Tris pH 8.5, 16%(w/v) PEG 4000, 0.2M Lithium Chloride, 20 %(w/v) PEG 3350); Cryoprotection (80% Reservoir + 20% Ethylene Glycol