6PR9

S. aureus dihydrofolate reductase co-crystallized with 1-ethylpropyl-dihydropthalazine inhibitor and NADP(H)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-08-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 61 2 2
Unit cell lengths	78.980, 78.980, 107.330
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.291 - 2.010
R-factor	0.1747
Rwork	0.172
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3m08
RMSD bond length	0.007
RMSD bond angle	1.246
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER (1.15.2_3472)
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.300	2.080
High resolution limit [Å]	2.010	2.010
Rmerge	0.062	0.284
Number of reflections	13732	1357
<I/σ(I)>	18.9
Completeness [%]	99.5
Redundancy	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		297	20% PEG6000, 0.1M MES, 0.15M Na Acetate