8P4Q

Structure of the IMP dehydrogenase related protein GUAB3 from Synechocystis PCC 6803

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979263470491
Spacegroup name	P 21 21 21
Unit cell lengths	123.980, 131.680, 182.495
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.040 - 1.880
R-factor	0.1793
Rwork	0.178
R-free	0.19670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.684
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21rc1_4933)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.040	1.930
High resolution limit [Å]	1.880	1.880
Rmeas	0.073	0.806
Number of reflections	219243	7407
<I/σ(I)>	14.21	0.67
Completeness [%]	90.4	35.3
Redundancy	4.6	1.18
CC(1/2)	0.999	0.550

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	Crystals were grown in the presence of XMP and NAD+ in mother liquor from the condition 1-10 of the commercial screen Morpheus (Molecular Dimensions), which consists of a salt mixture (0.03M Magnesium chloride hexahydrate and 0.03M Calcium chloride dihydrate), a precipitant mix (20% v/v Ethylene glycol and 10 % w/v PEG 8000), and 0.1M of a buffer system (Tris-base, Bicine) adjusted at pH 8.5. Initial concentrations: Protein = 12.5 mg/mL XMP = 3 mM NAD = 3 mM