7M66

Targeting Enterococcus faecalis HMG-CoA reductase with a novel non-statin inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-04-27
Detector	MAR CCD 165 mm
Wavelength(s)	1.000
Spacegroup name	P 61
Unit cell lengths	168.661, 168.661, 120.194
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.130 - 2.250
R-factor	0.1766
Rwork	0.175
R-free	0.20880
Structure solution method	MIR
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.330
High resolution limit [Å]	2.250	4.850	2.250
Rmerge	0.116	0.094	0.665
Number of reflections	91453	9276	9084
<I/σ(I)>	14.4
Completeness [%]	99.9	99.6	99.8
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	MES, calcium acetate, PEG8000