8G4Z

E. coli DHFR complex with NADP+ and folate: EF-X off model by Laue diffraction (no electric field)

Experimental procedure

Experimental method	LAUE
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-ID-B
Synchrotron site	APS
Beamline	14-ID-B
Temperature [K]	278
Detector technology	CCD
Collection date	2021-04-02
Detector	RAYONIX MX340-HS
Wavelength(s)	1.02-1.18
Spacegroup name	P 21 21 21
Unit cell lengths	34.286, 45.530, 98.995
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.360 - 1.700
R-factor	0.1495
Rwork	0.147
R-free	0.19530
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.004
RMSD bond angle	0.767
Data reduction software	Precognition (5.2.2)
Data scaling software	careless (0.2.0)
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.360	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	17637	1702
<I/σ(I)>	19.68	9.76
Completeness [%]	99.5	99.4
Redundancy	35.53	27.4
CC(1/2)	0.991	0.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20 mM imadazole (pH 5.4-5.8), 15-20% PEG 400, 125 mM MnCl2