7FQF

DHFR:NADP+:FOL complex (crystal 2, pass 4, 310 K)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	310
Detector technology	PIXEL
Collection date	2021-11-20
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.826533
Spacegroup name	P 21 21 21
Unit cell lengths	34.299, 45.706, 99.116
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.600 - 1.230
R-factor	0.1324
Rwork	0.131
R-free	0.16910
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7lvc
RMSD bond length	0.013
RMSD bond angle	1.238
Data reduction software	DIALS (3.5.2)
Data scaling software	DIALS (3.5.2)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.560	1.250
High resolution limit [Å]	1.230	1.230
Rmerge	0.231	7.468
Rpim	0.044	1.404
Number of reflections	86426	4022
<I/σ(I)>	12.3	0.3
Completeness [%]	98.9
Redundancy	28.2	28.4
CC(1/2)	0.999	0.321

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2