7JG3

Human GAR transformylase in complex with GAR substrate and AGF103 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	2020-05-29
Detector	RDI CMOS_8M
Wavelength(s)	1.000
Spacegroup name	P 32 2 1
Unit cell lengths	74.522, 74.522, 100.060
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.541 - 2.091
R-factor	0.1891
Rwork	0.187
R-free	0.23270
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]	39.541	2.150
High resolution limit [Å]	2.090	2.090
Rmerge	0.143	1.757
Rmeas	0.151	1.858
Rpim	0.047	0.907
Number of reflections	18747	18747
<I/σ(I)>	14.1	1.1
Completeness [%]	99.8	97.7
Redundancy	10.3	9.4
CC(1/2)	0.998	0.510

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