9NJO

Y100F Mutant of E. coli Dihydrofolate Reductase

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	2025-01-30
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	33.850, 42.650, 97.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.100 - 1.800
R-factor	0.226
Rwork	0.225
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.572
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.100	32.100	1.840
High resolution limit [Å]	1.800	8.040	1.800
Rmerge	0.179	0.042	1.024
Rmeas	0.210	0.050	1.193
Number of reflections	13501	187	981
<I/σ(I)>	8.46
Completeness [%]	98.1
Redundancy	3.7
CC(1/2)	0.988	0.997	0.645

Crystallization Conditions

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