1JVI

THE 2.2 ANGSTROM RESOLUTION STRUCTURE OF BACILLUS SUBTILIS LUXS/RIBOSILHOMOCYSTEINE COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 65 2 2
Unit cell lengths	62.095, 62.095, 150.051
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.200
R-factor	0.174 *
Rwork	0.174
R-free	0.24190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j98
RMSD bond length	0.011
RMSD bond angle	23.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.250
High resolution limit [Å]	2.200	2.200
Rmerge	0.062	0.360
Total number of observations	24877 *
Number of reflections	8944	339 *
<I/σ(I)>	13.1
Completeness [%]	95.7	92.5
Redundancy	2.63

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	290	1.8 - 2.4M AMMONIUM SULPHATE, 0.1M TRIS-HCL, VAPOR DIFFUSION, HANGING DROP, temperature 290K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1.8-2.2 (M)
2	1	reservoir	Tris-HCl	0.1 (M)