3FY9

Staph. aureus DHFR F98Y complexed with AR-102

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-10-23
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 61 2 2
Unit cell lengths	79.432, 79.432, 108.597
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.250
R-factor	0.22268
Rwork	0.219
R-free	0.30230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fy8
RMSD bond length	0.009
RMSD bond angle	1.211
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.250
Rmerge	0.181
Number of reflections	8692
Completeness [%]	91.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5		25% PEG3350, 200mM NaCl, 100mM bis-Tris, pH5.5