8FDX

AGF271 and GAR in complex with human recombinant GARFTase, ligase, purine biosynthesis, transfers formyl group from 10-formyl tetrahydrofolate to glycinamide ribonucleotide (GAR) to form tetrahydrofolate and formyl GAR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2020-12-11
Detector	RDI CMOS_8M
Wavelength(s)	1.000
Spacegroup name	P 32 2 1
Unit cell lengths	74.125, 74.125, 99.765
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.390 - 2.070
R-factor	0.2036
Rwork	0.202
R-free	0.24040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j9f
RMSD bond length	0.007
RMSD bond angle	1.030
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13-2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.390	2.130
High resolution limit [Å]	2.070	2.070
Rmeas	0.161	1.871
Rpim	0.054	0.971
Number of reflections	19666	1365
<I/σ(I)>	10.3
Completeness [%]	99.0
Redundancy	10.3
CC(1/2)	0.997	0.412

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	0.1 M Tris-HCl, pH 7.5, 0.33 M sodium chloride, 16-21% PEG4000, 2% PEG400