4IX2

Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant, complexed with IMP

Replaces:  4FF0

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	2012-04-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	C 2 2 2
Unit cell lengths	167.180, 167.158, 93.082
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.100 - 2.146
R-factor	0.2114
Rwork	0.208
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fez
RMSD bond length	0.003
RMSD bond angle	0.707
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.100	50.000	2.190
High resolution limit [Å]	2.150	5.830	2.150
Rmerge	0.195	0.068	0.921
Number of reflections	71185
<I/σ(I)>	5.1		2.66
Completeness [%]	99.9	99.5	99.5
Redundancy	7.3	6.7	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	0.86 sodium/potassium buffer, 0.15 M MOPS buffer, 0.02 M sodium fluoride, 0.01 M IMP, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K