9H6K

Human B4GALNT1 in Complex with UDP-GalNac

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-01
Detector	DECTRIS EIGER2 X CdTe 9M
Wavelength(s)	0.6199
Spacegroup name	P 1 21 1
Unit cell lengths	60.100, 134.922, 86.584
Unit cell angles	90.00, 95.91, 90.00

Refinement procedure

Resolution	54.656 - 2.750
Rwork	0.189
R-free	0.22480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.884
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.88))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	54.660	54.660	2.880
High resolution limit [Å]	2.750	9.120	2.750
Rmerge	0.186	0.053	1.442
Rmeas	0.219	0.062	1.742
Rpim	0.114	0.032	0.964
Number of reflections	35584	1015	4565
<I/σ(I)>	6.2	15.2	1
Completeness [%]	99.5	99.4	96.3
Redundancy	7	7	6.3
CC(1/2)	0.992	0.998	0.389

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Tris-BICINE, 30% w/v GOL_P4K (40% v/v Glycerol, 20% w/v PEG 4000), 0.2 M Sodium formate, 0.2 M Ammonium acetate, 0.2 M Sodium citrate tribasic dihydrate, 0.2 M Potassium sodium tartrate tetrahydrate, 0.2 M Sodium oxamate