9UGP

Crystal structure of MCL-1 in complex with HRK BH3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-20
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	45.044, 53.997, 68.344
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.110 - 1.390
R-factor	0.1728
Rwork	0.171
R-free	0.19660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.086
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.370	1.454
High resolution limit [Å]	1.390	1.392
Rmerge	0.040
Number of reflections	55736	1509
<I/σ(I)>	18.3
Completeness [%]	88.4
Redundancy	5.7
CC(1/2)		0.335

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.1 M BIS-TRIS pH 6.5, 25%(w/v) polyethylene glycol monomethyl ether 2000