6L90

Crystal structure of ugt transferase enzyme

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	50.832, 68.877, 143.908
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.020
R-factor	0.2199
Rwork	0.217
R-free	0.27590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pq6
RMSD bond length	0.004
RMSD bond angle	1.141
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.090
High resolution limit [Å]	2.020	4.350	2.020
Rmerge	0.081	0.039	0.762
Rmeas	0.087	0.042	0.822
Rpim	0.031	0.016	0.305
Total number of observations	261957
Number of reflections	33929	3615	3345
<I/σ(I)>	11.6
Completeness [%]	99.9	99.6	99.9
Redundancy	7.7	7.1	7.3
CC(1/2)		0.999	0.836

Crystallization Conditions

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