5OU3

M. thermoresistible IMPDH in complex with IMP and Compound 31 (AT080)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	77
Detector technology	PIXEL
Collection date	2016-06-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.98
Spacegroup name	I 4
Unit cell lengths	89.280, 89.280, 85.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.150 - 1.600
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall
Low resolution limit [Å]	36.150
High resolution limit [Å]	1.600
Number of reflections	43461
<I/σ(I)>	9.31
Completeness [%]	100.0
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	100mM sodium acetate pH 5.5, 200mM calcium chloride, 8-14% iso-propanol