8VJP

Histidine-covalent stapled alpha-helical peptide (155H1) targeting hMcl-1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	LAUE
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-08
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	31.039, 62.811, 81.224
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.410 - 1.130
R-factor	0.1924
Rwork	0.191
R-free	0.22050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.299
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.410	1.170
High resolution limit [Å]	1.130	1.130
Number of reflections	55764	3405
<I/σ(I)>	11.11
Completeness [%]	91.1	49.8
Redundancy	9
CC(1/2)	0.997	0.375

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M Imidazole, pH 8.0 and 10% (w/v) PEG 8,000