7FQ0

DHFR:NADP+:FOL complex at 300 K (crystal 4)

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	34.228, 45.530, 99.139
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.770 - 1.150
R-factor	0.1342
Rwork	0.133
R-free	0.16200
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7lvc
RMSD bond length	0.005
RMSD bond angle	0.935
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]	45.530	1.170
High resolution limit [Å]	1.150	1.150
Rmerge	0.200	7.203
Rpim	0.038	1.358
Number of reflections	104829	5233
<I/σ(I)>	25	0.5
Completeness [%]	98.4
Redundancy	27.8	28.3
CC(1/2)	0.999	0.334

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