7JG4

Human GAR transformylase in complex with GAR substrate and AGF131 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	2019-12-09
Detector	RDI CMOS_8M
Wavelength(s)	1.000
Spacegroup name	P 32 2 1
Unit cell lengths	74.278, 74.278, 100.344
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.562 - 2.455
R-factor	0.1907
Rwork	0.188
R-free	0.25450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j9f
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (v1.13)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.562	2.560
High resolution limit [Å]	2.450	2.450
Rmerge	0.178	1.744
Rmeas	0.157	1.859
Rpim	0.058	0.634
Number of reflections	11994	11994
<I/σ(I)>	11.6	1.1
Completeness [%]	99.2	93.7
Redundancy	10.1	8
CC(1/2)	0.997	0.662

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, 18-22% polyethylene glycol (PEG) 4000, and 2% PEG 400