1JQW

THE 2.3 ANGSTROM RESOLUTION STRUCTURE OF BACILLUS SUBTILIS LUXS/HOMOCYSTEINE COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Wavelength(s)	1.5418
Spacegroup name	P 65 2 2
Unit cell lengths	61.202, 61.202, 150.030
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.300
R-factor	0.175 *
Rwork	0.175
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j98
RMSD bond length	0.011
RMSD bond angle	23.000 *
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	2.350
High resolution limit [Å]	2.300	2.300
Rmerge	0.062 *	0.501 *
Total number of observations	38530 *
Number of reflections	7264	185 *
<I/σ(I)>	20.8	3.35
Completeness [%]	90.8	94.5
Redundancy	5.36

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, pH 8.0, 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)