4QNE

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

Replaces:  4HLV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-20
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9792
Spacegroup name	P 4 21 2
Unit cell lengths	121.334, 121.334, 94.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.500 - 2.320
R-factor	0.2
Rwork	0.196
R-free	0.27019
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fo4
RMSD bond length	0.016
RMSD bond angle	1.852
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0071)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	94.470	50.000	2.360
High resolution limit [Å]	2.319	6.290	2.319
Rmerge	0.104	0.056	0.918
Number of reflections	31196
<I/σ(I)>	8.8		2.1
Completeness [%]	100.0	99.5	100
Redundancy	8.7	8.5	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	0.77 M sodium/potassium phosphate, 0.15 M Tris, 6% MPD, 0.02 M NAD, 0.02 M XMP, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K