3UYL

Spinosyn Rhamnosyltransferase SpnG complexed with thymidine diphosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 1
Unit cell lengths	54.152, 57.629, 68.203
Unit cell angles	81.63, 73.79, 85.74

Refinement procedure

Resolution	24.620 - 1.850
R-factor	0.2346
Rwork	0.232
R-free	0.29137
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tsa
RMSD bond length	0.019
RMSD bond angle	2.141
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (MR)
Refinement software	REFMAC (version: 5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.620	1.900
High resolution limit [Å]	1.850	1.850
Number of reflections	57920
Completeness [%]	92.0	88.56

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	298.15	18% w/v PEG3350, 12.5-13.5% w/v glucose, 1% v/v glycerol, 0.1 M magnesium formate, 0.1 M sodium cacodylate, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 298.15K