6PBO

Staphylococcus aureus Dihydrofolate reductase in complex with NADPH and UCP1232

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	PIXEL
Collection date	2017-12-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95
Spacegroup name	P 61 2 2
Unit cell lengths	78.940, 78.940, 108.270
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.470 - 1.649
R-factor	0.2612
Rwork	0.258
R-free	0.29660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f0q
RMSD bond length	0.008
RMSD bond angle	1.776
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.470	1.708
High resolution limit [Å]	1.649	1.649
Rmerge	0.115	0.658
Number of reflections	23971	2394
<I/σ(I)>	10.9
Completeness [%]	97.1	99.21
Redundancy	11.2	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		278	0.1 MES, pH 6.0, 0.1M sodium acetate, 15% PEG 10K and 20% gamma-butyrolactone