5GO3

Crystal structure of a di-nucleotide cyclase Vibrio mutant

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	2012-10-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9789
Spacegroup name	P 1 21 1
Unit cell lengths	74.745, 46.272, 121.791
Unit cell angles	90.00, 99.82, 90.00

Refinement procedure

Resolution	43.174 - 2.200
R-factor	0.2314
Rwork	0.228
R-free	0.29210
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.202
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.090
High resolution limit [Å]	2.050	2.050
Rmerge	0.092
Number of reflections	50934
<I/σ(I)>	18.6
Completeness [%]	98.0
Redundancy	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		291	25% PEG 3350, 100 mM HEPES (pH 7.5), 200 mM magnesium chloride hexahydrate