7FPM

DHFR:NADP+:FOL complex at 280 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]	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	34.155, 45.506, 99.081
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.730 - 1.040
R-factor	0.1302
Rwork	0.129
R-free	0.15310
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7lvc
RMSD bond length	0.010
RMSD bond angle	1.156
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]	45.510	1.060
High resolution limit [Å]	1.040	1.040
Rmerge	0.306
Rpim	0.061	2.520
Number of reflections	142620	7682
<I/σ(I)>	19.6	0.4
Completeness [%]	99.5
Redundancy	26.9	20.5
CC(1/2)	0.999	0.309

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