9CPN

Structural basis of BAK sequestration by MCL-1 and consequences for apoptosis initiation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	124
Detector technology	PIXEL
Collection date	2020-02-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	88.614, 109.330, 125.127
Unit cell angles	90.00, 100.68, 90.00

Refinement procedure

Resolution	34.690 - 1.890
R-factor	0.1937
Rwork	0.191
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.348
Data reduction software	XDS
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.690	1.920
High resolution limit [Å]	1.890	1.890
Rmerge		0.393
Number of reflections	182985	5218
<I/σ(I)>	12
Completeness [%]	98.3
Redundancy	3.8
CC(1/2)	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	15-25% PEG 4000, 0.2 M lithium sulfate, 0.1 M TRIS pH 8.5