4RK4

Crystal structure of LacI family transcriptional regulator from Lactobacillus casei, Target EFI-512911, with bound glucose

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	2014-09-25
Detector	ADSC QUANTUM 315r
Spacegroup name	H 3 2
Unit cell lengths	108.854, 108.854, 125.885
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.320
R-factor	0.1264
Rwork	0.126
R-free	0.15246
Structure solution method	MR
Starting model (for MR)	3rk3
RMSD bond length	0.024
RMSD bond angle	2.038
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	1.340
High resolution limit [Å]	1.320	1.320
Rmerge	0.041	0.940
Number of reflections	67029
<I/σ(I)>	40.1	2
Completeness [%]	100.0	99.9
Redundancy	8.9	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	protein in 10 mM Bis-Tris, 500 mM sodium chloride, 10% glycerol, 5 mM DTT, TEV protease (1:100 ratio), reservoir: 0.16 M calcium acetate, 0.08 M sodium cacodylate, pH 6.5, 14.4% PEG8000, 20% glycerol, cryoprotectant = reservoir + 100 mM glucose, VAPOR DIFFUSION, SITTING DROP, temperature 294K