7MO6

Guanosine Monophosphate Synthase from Aspergillus fumigatus Af293

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	47.297, 159.761, 76.173
Unit cell angles	90.00, 108.00, 90.00

Refinement procedure

Resolution	39.940 - 2.300
R-factor	0.2323
Rwork	0.230
R-free	0.27730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ywc
Data reduction software	XDS (20190315)
Data scaling software	Aimless (0.6.3)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.16-3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.940	44.940	2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.209	0.067	2.453
Rmeas	0.227	0.073	2.692
Rpim	0.089	0.029	1.090
Total number of observations	311610	5636	27578
Number of reflections	47553	854	4684
<I/σ(I)>	6.1	23	0.9
Completeness [%]	99.8	99.3	100
Redundancy	6.6	6.6	5.9
CC(1/2)	0.992	0.993	0.353

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	21% PEG 3350, 0.05 M Bis-Tris pH 6.5