5J9F

Human GAR transformylase in complex with GAR and (4-{[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzoyl)-L-glutamic acid (AGF183)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	110
Detector technology	CCD
Collection date	2015-12-09
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	75.386, 75.386, 101.293
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.020 - 2.100
R-factor	0.177
Rwork	0.174
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zz1
RMSD bond length	0.014
RMSD bond angle	1.476
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.017	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.100	0.750
Number of reflections	22067
<I/σ(I)>	13	2.6
Completeness [%]	100.0	100
Redundancy	5.4	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.1 M Tris (pH 7.5), 0.333 mM NaCl, 18% polyethylene glycol (PEG) 3350, and 2% PEG 400