29HO

Ternary complex of VCB, Baz2B-BD with compound 8

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-02-22
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	60.650, 73.355, 149.531
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.766 - 2.450
Rwork	0.231
R-free	0.27560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.579
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.100))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.770	2.540
High resolution limit [Å]	2.450	2.450
Rmerge	0.062	2.206
Rmeas	0.064	2.292
Rpim	0.018	0.619
Number of reflections	25239	2470
<I/σ(I)>	15.87
Completeness [%]	99.9	99.88
Redundancy	13	13.5
CC(1/2)	0.966	0.855

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100 mM Na-cacodylate pH 6.5, 170-250 mM Ca(OAc)2, 17-20% PEG8k