8UCX

Dihydrofolate Reductase Complexed with Folate

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	2023-08-25
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	.9795
Spacegroup name	I 4
Unit cell lengths	104.400, 104.400, 33.908
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.910 - 1.570
R-factor	0.1873
Rwork	0.186
R-free	0.21660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.264
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.910	1.590
High resolution limit [Å]	1.570	1.570
Rmerge	0.115	1.743
Rmeas	0.118	1.787
Rpim	0.023	0.385
Total number of observations	658288	23924
Number of reflections	25931	1199
<I/σ(I)>	17.6	1.8
Completeness [%]	99.8
Redundancy	25.4	20
CC(1/2)	0.999	0.721

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	Mixed 1 microliter of ecDHFR-FOL in 20 mM imidazole at pH 7.0 with 1 microliter of a reservoir solution containing 14%(w/v) PEG 6000, 300 mM MnCl2, and 20 mM imidazole at pH 7.0