9CPF

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	88.757, 110.517, 126.019
Unit cell angles	90.00, 101.17, 90.00

Refinement procedure

Resolution	46.350 - 1.700
R-factor	0.1856
Rwork	0.185
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.180
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]	46.350	1.730
High resolution limit [Å]	1.700	1.700
Rmerge		0.599
Number of reflections	504731	19449
<I/σ(I)>	13.24
Completeness [%]	97.6
Redundancy	3.3
CC(1/2)	0.999

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