5SST

DHFR:NADP+:FOL complex at 270 K (crystal 2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	270
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	34.080, 45.289, 99.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.670 - 1.070
R-factor	0.1308
Rwork	0.130
R-free	0.14820
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7lvc
RMSD bond length	0.007
RMSD bond angle	1.018
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]	33.410	1.090
High resolution limit [Å]	1.070	1.070
Rmerge	0.484
Rpim	0.101	2.200
Number of reflections	128870	6835
<I/σ(I)>	22.5	1.5
Completeness [%]	98.7
Redundancy	25.8	27.6
CC(1/2)	0.999	0.551

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