2ZCO

Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL12B2
Synchrotron site	SPring-8
Beamline	BL12B2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-19
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0000
Spacegroup name	P 32 2 1
Unit cell lengths	80.410, 80.410, 90.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.580
Rwork	0.187
R-free	0.21300
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.500
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.640
High resolution limit [Å]	1.580	1.580
Rmerge	0.041	0.340
Number of reflections	46486
<I/σ(I)>	55.3	8.6
Completeness [%]	99.5	100
Redundancy	9	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.12-0.58M potassium sodium tartrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.12-0.58M potassium sodium tartrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K