4FGG

S. aureus dihydrofolate reductase co-crystallized with propyl-DAP isobutenyl-dihydrophthalazine inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Detector technology	CCD
Collection date	2012-02-01
Detector	BRUKER SMART 6000
Wavelength(s)	1.54
Spacegroup name	P 61 2 2
Unit cell lengths	79.012, 79.012, 107.529
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	68.426 - 2.300
R-factor	0.2016
Rwork	0.197
R-free	0.24460
Structure solution method	PDB entry 3M08
RMSD bond length	0.008
RMSD bond angle	1.225
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall
Low resolution limit [Å]	70.000
High resolution limit [Å]	2.300
Number of reflections	9312
<I/σ(I)>	22.8
Completeness [%]	100.0
Redundancy	34.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	15-20% PEG 6000, 0.15M NaOAc, 0.1M MES pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K