6CLU

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979430
Spacegroup name	P 43
Unit cell lengths	76.636, 76.636, 176.226
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.622 - 1.950
R-factor	0.1893
Rwork	0.182
R-free	0.20360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001
RMSD bond angle	0.371
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.622	1.990
High resolution limit [Å]	1.950	1.950
Number of reflections	684630
<I/σ(I)>	9.7
Completeness [%]	99.9
Redundancy	9.2

Crystallization Conditions

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