7FPS

DHFR:NADP+:FOL complex at 290 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]	290
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	34.192, 45.556, 99.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.350 - 1.260
R-factor	0.1333
Rwork	0.132
R-free	0.16650
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7lvc
RMSD bond length	0.009
RMSD bond angle	1.083
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]	49.530	1.280
High resolution limit [Å]	1.260	1.260
Rmerge	0.532	8.097
Rpim	0.105	1.704
Number of reflections	80476	3665
<I/σ(I)>	18.6	1.1
Completeness [%]	99.8
Redundancy	26.7	23.3
CC(1/2)	0.999	0.357

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