4X3Z

Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant, in complex with XMP and NAD

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	2014-11-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 4 21 2
Unit cell lengths	91.262, 91.262, 171.214
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.200 - 1.620
R-factor	0.15345
Rwork	0.152
R-free	0.18157
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qne
RMSD bond length	0.015
RMSD bond angle	1.919
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.650
High resolution limit [Å]	1.620	4.400	1.620
Rmerge	0.067	0.035	0.743
Rmeas	0.071	0.038	0.796
Rpim	0.025	0.014	0.283
Total number of observations	754711
Number of reflections	92477
<I/σ(I)>	10.8		2.84
Completeness [%]	100.0	99.5	100
Redundancy	8.2	7.7	7.8
CC(1/2)		0.995	0.839

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	1.03 M sodium/phosphate buffer, 0.15 M malate, 3% PEG-300