4RK1

Crystal structure of LacI family transcriptional regulator from Enterococcus faecium, Target EFI-512930, with bound ribose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-05
Detector	ADSC QUANTUM 315r
Spacegroup name	P 1 21 1
Unit cell lengths	123.371, 95.243, 123.602
Unit cell angles	90.00, 119.47, 90.00

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.16012
Rwork	0.159
R-free	0.19234
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.220
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.100	0.930
Number of reflections	197594
<I/σ(I)>	16.9	1.8
Completeness [%]	100.0	95.7
Redundancy	5.2	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	294	protein in 10 mM Bis-Tris, 500 mM sodium chloride, 10% glycerol, 5 mM DTT, TEV protease (1:100 ratio), reservoir: 1 M sodium acetate:HCl, pH 4.6, 1.5 M ammonium chloride, 10 mM D-glucose, cryoprotectant = reservoir + 30% w/v glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 294K