3WYI

Structure of S. aureus undecaprenyl diphosphate synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-01
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	P 31 2 1
Unit cell lengths	62.080, 62.080, 133.486
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.000
Rwork	0.190
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h8e
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.066	0.500
Number of reflections	20923
<I/σ(I)>	32.8	3.6
Completeness [%]	100.0	100
Redundancy	8.5	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	295	100mM HEPES, pH 6.5, 200mM Magnesium chloride, 200mM Nickel chloride, 20% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 295K