8FJX

Human GAR transformylase in complex with GAR substrate and AGF320 inhibitor

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	2019-06-27
Detector	RDI CMOS_8M
Wavelength(s)	1.00
Spacegroup name	P 32 2 1
Unit cell lengths	75.251, 75.251, 100.037
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.685 - 2.170
R-factor	0.2048
Rwork	0.203
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.739
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]	39.685	2.240
High resolution limit [Å]	2.170	2.170
Rmerge	0.186	3.414
Rmeas	0.196	3.680
Rpim	0.062	1.344
Number of reflections	17854	1501
<I/σ(I)>	11.6
Completeness [%]	100.0
Redundancy	10
CC(1/2)	0.997	0.437

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	0.1 M Tris (pH 7.5), 0.333 mM NaCl, 20% polyethylene glycol (PEG) 4000, and 2% PEG 400