7FQ1

DHFR:NADP+:FOL complex at 300 K (crystal 5)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	300
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	34.236, 45.384, 99.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.070 - 1.180
R-factor	0.1436
Rwork	0.142
R-free	0.17670
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7lvc
RMSD bond length	0.006
RMSD bond angle	0.875
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]	32.360	1.200
High resolution limit [Å]	1.180	1.180
Rmerge	0.306	6.018
Rpim	0.059	1.140
Number of reflections	95421	4598
<I/σ(I)>	22	0.4
Completeness [%]	97.1
Redundancy	27.9	28.4
CC(1/2)	0.999	0.312

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