6L8X

Crystal structure of Siraitia grosvenorii ugt transferase mutant2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-20
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	50.614, 69.042, 143.991
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.010 - 1.550
R-factor	0.1899
Rwork	0.188
R-free	0.21840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pq6
RMSD bond length	0.007
RMSD bond angle	1.384
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MrBUMP
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.610
High resolution limit [Å]	1.550	3.340	1.550
Rmerge	0.119	0.099	0.698
Rmeas	0.123	0.102	0.754
Rpim	0.032	0.026	0.279
Total number of observations	956690
Number of reflections	71652	7766	6408
<I/σ(I)>	10
Completeness [%]	96.4	99.2	87.9
Redundancy	13.4	15.1	6.5
CC(1/2)		0.994	0.867

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	PEG8000, MgAc