5OU2

M. thermoresistible IMPDH in complex with IMP and Compound 2 (NMR744)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	77
Detector technology	PIXEL
Collection date	2015-11-26
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.98
Spacegroup name	I 4
Unit cell lengths	88.480, 88.480, 84.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.240 - 1.450
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall
Low resolution limit [Å]	44.240
High resolution limit [Å]	1.450
Number of reflections	57500
<I/σ(I)>	13.96
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