3FRA

Staphylococcus aureus F98Y DHFR complexed with iclaprim

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MAR scanner 345 mm plate
Spacegroup name	P 61 2 2
Unit cell lengths	79.200, 79.200, 108.531
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.350
R-factor	0.22636
Rwork	0.223
R-free	0.29408
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.320
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.500
High resolution limit [Å]	2.350	2.350
Number of reflections	8774
Completeness [%]	98.6	91.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5		25% PEG 3350, 200mM NaCl, 100mM bis-Tris, pH5.5