4FXS

Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae complexed with IMP and mycophenolic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	I 4 2 2
Unit cell lengths	111.960, 111.960, 188.994
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.700 - 2.240
R-factor	0.1918
Rwork	0.190
R-free	0.23190
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.740
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.600	50.000	2.280
High resolution limit [Å]	2.240	6.080	2.240
Rmerge	0.090	0.061	0.913
Number of reflections	29245
<I/σ(I)>	11.1		5.48
Completeness [%]	99.9	98.3	100
Redundancy	21.7	18.3	22.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	289	1 M sodium/potassium phosphate, 0.01 M IMP, 0.01 M mycophenolic acid, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K