9Z3V

Histidine-covalent 165G1 targeting hMcl-1

This is a non-PDB format compatible entry.

Replaces:  9CKN

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	2025-09-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	31.514, 78.046, 62.254
Unit cell angles	90.00, 93.08, 90.00

Refinement procedure

Resolution	48.620 - 1.600
R-factor	0.226
Rwork	0.225
R-free	0.25920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.598
Data scaling software	xia2 (1.20.1_4487)
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.620	1.657
High resolution limit [Å]	1.600	1.600
Number of reflections	276140	3987
<I/σ(I)>	12.49
Completeness [%]	100.0
Redundancy	6.9
CC(1/2)	0.990	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		278	0.1 M Sodium Acetate: HCl, pH 4.5, 25 % (w/v) PEG 3350