9H6L

Human B4GALNT1 in Complex with UDP

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	60.183, 133.527, 86.922
Unit cell angles	90.00, 94.83, 90.00

Refinement procedure

Resolution	66.760 - 2.674
Rwork	0.191
R-free	0.23270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	2.006
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]	66.760	66.760	2.790
High resolution limit [Å]	2.670	9.250	2.670
Rmerge	0.127	0.078	1.107
Rmeas	0.150	0.091	1.363
Rpim	0.079	0.047	0.784
Number of reflections	38565	975	4442
<I/σ(I)>	8	20.6	1.1
Completeness [%]	99.3	99.7	94.2
Redundancy	6.8	6.8	5.6
CC(1/2)	0.989	0.983	0.477

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