8DAI

E. coli DHFR complex with NADP+ and 10-methylfolate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	285
Detector technology	PIXEL
Collection date	2022-05-07
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.953692
Spacegroup name	P 21 21 21
Unit cell lengths	34.251, 45.357, 98.845
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.420 - 1.140
R-factor	0.1284
Rwork	0.127
R-free	0.16000
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7lvc
RMSD bond length	0.013
RMSD bond angle	1.357
Data reduction software	DIALS (3.5.2)
Data scaling software	DIALS (3.5.2)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.420	1.180
High resolution limit [Å]	1.140	1.140
Rmerge	0.148	3.344
Rpim	0.028	0.878
Number of reflections	105471	8518
<I/σ(I)>	8.62	0.35
Completeness [%]	96.3	70.65
Redundancy	25.9	14.9
CC(1/2)	0.999	0.269

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20 mM imadazole (pH 5.4-5.8), 15-20% PEG 400, 125 mM MnCl2