3TFP

Crystal Structure of Dehydrosqualene Synthase (CrtM) from S. aureus Complexed with BPH-1162

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9
Spacegroup name	P 32 2 1
Unit cell lengths	80.246, 80.246, 92.196
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.106 - 2.000
R-factor	0.1942
Rwork	0.192
R-free	0.24130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zcq
RMSD bond length	0.005
RMSD bond angle	0.846
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.960
High resolution limit [Å]	1.930	1.930
Rmerge	0.043	0.696
Number of reflections	26333
<I/σ(I)>	35.9	2.3
Completeness [%]	99.9	99
Redundancy	11.3	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	0.2M Potassium sodium tartrate, 20% w/v PEG 3350, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K