9PWM

Dihydrofolate Reductase Complexed with Folate and Nicotinamide Adenine Dinucleotide Phosphate (Oxidized Form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-07-09
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	33.880, 44.860, 98.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.920 - 0.890
R-factor	0.1461
Rwork	0.146
R-free	0.15600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.319
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.880	33.880	0.910
High resolution limit [Å]	0.890	3.980	0.890
Rmerge	0.062	0.048	1.961
Rmeas	0.064	0.049	2.037
Number of reflections	115332	1456	8119
<I/σ(I)>	23.96
Completeness [%]	99.6
Redundancy	18.56
CC(1/2)	0.999	0.999	0.544

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	PEG 6000, Manganese Chloride, imidazole