4H8E

Structure of S. aureus undecaprenyl diphosphate synthase in complex with FPP and sulfate

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	2012-06-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 41 21 2
Unit cell lengths	57.303, 57.303, 158.824
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.640 - 1.300
R-factor	0.1751
Rwork	0.174
R-free	0.19360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.032
RMSD bond angle	2.655
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASES
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.077	0.400
Number of reflections	66126
<I/σ(I)>	33.9	5.3
Completeness [%]	100.0	100
Redundancy	13.9	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	100 mM MES sodium, pH 6.5, 200 mM ammonium sulfate, 25% PEG5000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 298K