7XTN

Crystal structure of the C-terminal domain of Bombyx mori N-acetylglucosaminyltransferase IV in complex with N-acetylglucosamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-05
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	32.697, 64.098, 79.148
Unit cell angles	90.00, 95.89, 90.00

Refinement procedure

Resolution	32.545 - 1.150
Rwork	0.193
R-free	0.20870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold2 model
RMSD bond length	0.011
RMSD bond angle	1.677
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.370	1.210
High resolution limit [Å]	1.150	1.150
Rmerge	0.046	0.810
Rmeas	0.050	0.879
Rpim	0.019	0.336
Number of reflections	113597	15961
<I/σ(I)>	18.1	2.3
Completeness [%]	98.6	94.9
Redundancy	6.7	6.6
CC(1/2)	0.999	0.782

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1 M MES-NaOH, pH 7.0, 12%(w/v) PEG20000, 10 mM N-acetylglucosamine