4F6X

Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1112

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-11
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 32 2 1
Unit cell lengths	80.194, 80.194, 91.333
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.250 - 1.980
R-factor	0.204
Rwork	0.202
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zco
RMSD bond length	0.007
RMSD bond angle	1.013
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.6.4_486))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.910
Rmerge	0.072
Number of reflections	27055
Completeness [%]	98.7
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	0.75M POTASSIUM SODIUM TARTRATE, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K