8FE0

Human GAR transformylase in complex with GAR substrate and AGF305 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	74.879, 74.879, 100.616
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.755 - 2.220
R-factor	0.2076
Rwork	0.205
R-free	0.25160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j9f
RMSD bond length	0.007
RMSD bond angle	1.058
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]	39.755	2.290
High resolution limit [Å]	2.220	2.220
Rmeas	0.505
Rpim	0.161	0.929
Number of reflections	16652	1501
<I/σ(I)>	7.1
Completeness [%]	100.0
Redundancy	9.7
CC(1/2)	0.969	0.362

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 NaCl, 16-21% PEG 4000, and 2% PEG 400