6IWQ

Crystal structure of GalNAc-T7 with Mn2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	137.695, 158.233, 251.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.250 - 2.950
R-factor	0.2258
Rwork	0.225
R-free	0.23890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.023
RMSD bond angle	2.002
Data reduction software	DENZO
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((dev_2400: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.250	3.055
High resolution limit [Å]	2.950	2.950
Number of reflections	103346
<I/σ(I)>	9.57
Completeness [%]	89.0
Redundancy	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M Lithium sulfate monohydrate, 12%(w/v) Polyethylene glycol 4,000, 0.1M Sodium citrate tribasic dihydrate pH 5.6, 5mM UDP, 5mM MnCl2