4U0L

Structure of the Vibrio cholerae di-nucleotide cyclase (DncV) mutant D131A-D133A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.968
Spacegroup name	P 1 21 1
Unit cell lengths	69.899, 59.774, 104.681
Unit cell angles	90.00, 96.00, 90.00

Refinement procedure

Resolution	43.900 - 2.100
R-factor	0.1896
Rwork	0.187
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.086
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall
Low resolution limit [Å]	43.900
High resolution limit [Å]	2.100
Number of reflections	54543
<I/σ(I)>	33.4
Completeness [%]	98.6
Redundancy	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	100mM Imidazole, 0.2M CaCl2, 15% PEG 3350