8HOK

crystal structure of UGT71AP2

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	2020-01-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	76.470, 95.170, 133.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.310 - 2.150
R-factor	0.165
Rwork	0.163
R-free	0.21430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2acw
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	77.426	77.426	2.270
High resolution limit [Å]	2.150	6.800	2.150
Rmerge		0.056	0.504
Rmeas	0.123	0.061	0.544
Rpim	0.047	0.024	0.203
Total number of observations	178458	5590	27023
Number of reflections	26741	934	3869
<I/σ(I)>	11.8	23.4	4
Completeness [%]	99.8	99.7	99.9
Redundancy	6.7	6	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M NaCl, 0.1 MMES pH6.0, 20% PEG6000