3ACX

Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-673

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-09-25
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97315
Spacegroup name	P 32 2 1
Unit cell lengths	80.628, 80.628, 90.453
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.310
R-factor	0.16088
Rwork	0.160
R-free	0.18181
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zco
RMSD bond length	0.007
RMSD bond angle	1.417
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.360
High resolution limit [Å]	1.310	1.310
Rmerge	0.030	0.222
Number of reflections	81916
<I/σ(I)>	66.3	9.7
Completeness [%]	99.9	100
Redundancy	9.5	9.3

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