4RK0

Crystal structure of LacI family transcriptional regulator from Enterococcus faecalis V583, Target EFI-512923, 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
Unit cell lengths	36.919, 77.234, 91.805
Unit cell angles	87.72, 82.57, 84.33

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.17168
Rwork	0.170
R-free	0.22271
Structure solution method	MR
Starting model (for MR)	3ctp
RMSD bond length	0.012
RMSD bond angle	1.520
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.097	0.690
Number of reflections	93664
<I/σ(I)>	17	2.2
Completeness [%]	97.7	95.7
Redundancy	4.4	4.2

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, 10 mM D-glucose, reservoir: 0.17 M sodium acetate, 0.085 M Tris-HCl, 8.5 25.5% w/v PEG4000, 15% w/v glycerol, cryoprotectant = reservoir, VAPOR DIFFUSION, SITTING DROP, temperature 294K