6L8W

Crystal structure of 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	48.770, 69.563, 152.763
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.760 - 2.050
R-factor	0.2103
Rwork	0.207
R-free	0.26870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pq6
RMSD bond length	0.005
RMSD bond angle	1.176
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.120
High resolution limit [Å]	2.050	4.410	2.050
Rmerge	0.104	0.082
Rmeas	0.108	0.085
Rpim	0.029	0.023	0.316
Total number of observations	508175
Number of reflections	33339	3546	3294
<I/σ(I)>	8
Completeness [%]	99.9	99.5	100
Redundancy	15.2	14.2	12.6
CC(1/2)		0.990	0.854

Crystallization Conditions

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