5JG0

Staphylococcus aureus Dihydrofolate Reductase complexed with beta-NADPH and UCP1191

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-15
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.22
Spacegroup name	P 61 2 2
Unit cell lengths	78.875, 78.875, 106.431
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.438 - 1.879
R-factor	0.1806
Rwork	0.176
R-free	0.21720
RMSD bond length	0.007
RMSD bond angle	1.238
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.440	1.910
High resolution limit [Å]	1.879	1.880
Rmerge		0.483
Number of reflections	16498
<I/σ(I)>	41.2	5.52
Completeness [%]	99.8	97
Redundancy	16.7	17.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277	0.1M MES, pH 5.0, 0.3M sodium acetate, 17% PEG 10,000, 12.5% gamma-butrylactone