9H6J

Human B4GALNT1 Apo Structure

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	60.463, 136.486, 87.427
Unit cell angles	90.00, 96.08, 90.00

Refinement procedure

Resolution	86.936 - 2.960
Rwork	0.202
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.870
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]	136.490	136.490	3.100
High resolution limit [Å]	2.940	9.300	2.940
Rmerge	0.112	0.025	1.610
Rmeas	0.131	0.030	1.890
Rpim	0.069	0.016	0.983
Number of reflections	30064	987	4363
<I/σ(I)>	9.9	45	1.1
Completeness [%]	100.0	99.9	100
Redundancy	7.1	6.8	7.2
CC(1/2)	0.999	1.000	0.521

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