7JG0

Human GAR transformylase in complex with GAR substrate and AGF102 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	2019-04-11
Detector	RDI CMOS_8M
Wavelength(s)	1.000
Spacegroup name	P 32 2 1
Unit cell lengths	75.232, 75.232, 99.955
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.655 - 1.984
R-factor	0.1844
Rwork	0.183
R-free	0.21160
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]	39.655	2.050
High resolution limit [Å]	1.980	1.980
Rmerge	0.092	1.002
Rmeas	0.098	1.157
Rpim	0.033	0.561
Number of reflections	22671	20977
<I/σ(I)>	18.1	1.1
Completeness [%]	97.8	86
Redundancy	8.8
CC(1/2)	0.998	0.483

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	0.1 M Tris (pH 7.5), 0.222 M NaCl, 22% polyethylene glycol (PEG) 4000, and 2% PEG 400