4QQ3

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

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	2014-05-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 4 21 2
Unit cell lengths	106.900, 106.900, 65.489
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.600 - 1.720
R-factor	0.168
Rwork	0.167
R-free	0.19310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qne
RMSD bond length	0.016
RMSD bond angle	1.695
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]	38.600	50.000	1.750
High resolution limit [Å]	1.720	4.670	1.720
Rmerge	0.066	0.035	0.499
Number of reflections	40250
<I/σ(I)>	12.2		2.1
Completeness [%]	98.4	99	82.5
Redundancy	12.1	12.4	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	10% PEG 2000, 19.3% PEG 200, 0.05 M Tris-buffer, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K