1JOE

Crystal Structure of Autoinducer-2 Production Protein (LuxS) from Heamophilus influenzae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2000-07-08
Detector	MARRESEARCH
Wavelength(s)	1.00
Spacegroup name	P 42
Unit cell lengths	115.530, 115.530, 51.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.400
R-factor	0.2099
Rwork	0.205
R-free	0.29920
Structure solution method	SAD(HG)
RMSD bond length	0.004
RMSD bond angle	0.017
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	SHELXS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.440
High resolution limit [Å]	2.300	2.300
Number of reflections	30314
<I/σ(I)>	15.09	1.68
Completeness [%]	100.0	100
Redundancy	3.67	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	Method: vapor diffusion-Hanging drop. Well Solution: PEG 4000 25%, MAGNESIUM CHLORIDE 0.2M, TRIS BUFFER 0.1M pH8.5. Drop composition: 15ul OF WELL SOLUTION, 15 ul OF PROTEIN (15mg/ml). Soaking medium: PEG 4000 (27.5%), magnesium chloride 0.2M, Tris buffer 0.1M pH 8.5, Mercury Acetate 0.5mM. Soaking time: 3.5 hrs. Cryo Protectant: Lithium Formate 15%. , VAPOR DIFFUSION, HANGING DROP, temperature 295K