9NX6

Human GAR transformylase in complex with GAR substrate and AGF302 inhibitor

This is a non-PDB format compatible entry.

Replaces:  8FDZ

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	2020-06-18
Detector	RDI CMOS_8M
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	74.977, 74.977, 99.732
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.550 - 2.480
R-factor	0.2073
Rwork	0.205
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.072
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.550	2.580
High resolution limit [Å]	2.480	2.480
Number of reflections	11884	11949
<I/σ(I)>	9.5
Completeness [%]	100.0
Redundancy	10
CC(1/2)	0.992	0.365

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