7FQA

DHFR:NADP+:FOL complex (crystal 1, pass 4, 280 K)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	280
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	34.195, 45.456, 98.985
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.320 - 1.080
R-factor	0.1324
Rwork	0.131
R-free	0.15890
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7lvc
RMSD bond length	0.005
RMSD bond angle	0.884
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]	32.320	1.100
High resolution limit [Å]	1.080	1.080
Rmerge	0.134	7.614
Rpim	0.025	1.426
Number of reflections	123443	6478
<I/σ(I)>	12.7	0.3
Completeness [%]	96.5
Redundancy	28.9	29
CC(1/2)	0.999	0.311

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