3W7F

Crystal structure of the C(30) carotenoid dehydrosqualene synthase from staphylococcus aureus complexed with farnesyl thiopyrophosphate

Replaces:  2ZCP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-13
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 31 2 1
Unit cell lengths	80.060, 80.060, 183.120
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.250
R-factor	0.206
Rwork	0.206
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zco
RMSD bond length	0.014
RMSD bond angle	1.600
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	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.068	0.360
Number of reflections	32134
<I/σ(I)>	31.9	3.8
Completeness [%]	96.9	82.1
Redundancy	8.1	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	11-21% PEG 4000, 0.3-0.4M MGCL2, 0.1M TRIS, 0.5MM FSPP, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K