6J32

Crystal Structure Analysis of the Glycotransferase of kitacinnamycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97894
Spacegroup name	I 2 3
Unit cell lengths	242.900, 242.900, 242.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.119 - 2.500
R-factor	0.2696
Rwork	0.269
R-free	0.28500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2iyf
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	99.160	99.160	2.550
High resolution limit [Å]	2.500	12.990	2.500
Rmerge	0.083	0.033	1.027
Rmeas	0.091	0.037	1.149
Rpim	0.038	0.017	0.505
Total number of observations	461803	3389	22396
Number of reflections	81520	618	4454
<I/σ(I)>	10.7	25.7	1.6
Completeness [%]	99.6	98.1	99.9
Redundancy	5.7	5.5	5
CC(1/2)	0.996	0.997	0.545

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277.15	1.6 M Ammonium sulfate, 0.1 M MES monohydrate pH 6.5, 10% v/v 1,4-Dioxane