8FJW

Human GAR transformylase in complex with GAR substrate and AGF347 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	2020-06-25
Detector	RDI CMOS_8M
Wavelength(s)	1.000
Spacegroup name	P 32 2 1
Unit cell lengths	74.368, 74.368, 100.336
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.585 - 2.080
R-factor	0.209
Rwork	0.207
R-free	0.23610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.637
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]	39.585	2.140
High resolution limit [Å]	2.080	2.080
Rmerge	0.090	1.455
Rmeas	0.096	1.819
Rpim	0.033	1.068
Number of reflections	18883	1058
<I/σ(I)>	16
Completeness [%]	95.6
Redundancy	7.7
CC(1/2)	0.998	0.384

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