8Y1Z

Crystal structure of the Mcl-1 in complex with a Short BH3 peptide of BAK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979183
Spacegroup name	P 2 21 21
Unit cell lengths	47.742, 48.298, 63.527
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.570 - 1.914
R-factor	0.1957
Rwork	0.191
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.054
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.570	1.983
High resolution limit [Å]	1.914	1.914
Rmerge	0.085	0.390
Rmeas	0.088	0.412
Rpim	0.025	0.133
Number of reflections	11590	1048
<I/σ(I)>	15.3	3.96
Completeness [%]	98.0	90.67
Redundancy	12.1	9
CC(1/2)	0.999	0.966

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2M Lithium Acetate, 18-25% polyethylene glycol 3350