8FJY

Human GAR transformylase in complex with GAR substrate and AGF291 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	2019-03-28
Detector	RDI CMOS_8M
Wavelength(s)	1.000
Spacegroup name	P 32 2 1
Unit cell lengths	75.478, 75.478, 100.771
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.910 - 2.980
R-factor	0.2082
Rwork	0.206
R-free	0.25110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.930
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]	39.910	3.160
High resolution limit [Å]	2.980	2.980
Rmerge	0.534	2.710
Rmeas	0.562	2.859
Rpim	0.174	0.905
Number of reflections	7148	1129
<I/σ(I)>	5
Completeness [%]	100.0
Redundancy	10.3
CC(1/2)	0.977	0.407

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