6CLV

Staphylococcus aureus Dihydropteroate Synthase (saDHPS) F17L E208K double mutant structure

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	2013-08-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979180
Spacegroup name	P 43
Unit cell lengths	79.750, 79.750, 175.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.432 - 2.300
R-factor	0.2119
Rwork	0.191
R-free	0.20990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.604
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.432	2.344
High resolution limit [Å]	2.300	2.300
Number of reflections	201103
<I/σ(I)>	10.8
Completeness [%]	99.7
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2M Sodium Nitrate, and 20% PEG 3350