3FRE

S. aureus DHFR complexed with NADPH and TMP

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	79.328, 79.328, 107.781
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.24119
Rwork	0.239
R-free	0.28002
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.901
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.340
High resolution limit [Å]	2.200	2.200
Number of reflections	10800
Completeness [%]	99.3	97.2

Crystallization Conditions

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