4U03

Structure of the vibrio cholerae di-nucleotide cyclase (DncV) in complex with GTP and 5MTHFGLU2

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	69.623, 59.846, 104.053
Unit cell angles	90.00, 95.81, 90.00

Refinement procedure

Resolution	43.633 - 2.041
R-factor	0.183
Rwork	0.180
R-free	0.23330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u0l
RMSD bond length	0.007
RMSD bond angle	1.143
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall
Low resolution limit [Å]	103.000
High resolution limit [Å]	2.040
Number of reflections	54229
<I/σ(I)>	16.9
Completeness [%]	99.0
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	20% w/v PEG 3350, 200mM NaCl, 5mM ATP, 5mM GTP