8G3Y

MBP-Mcl1 in complex with ligand 34

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-15
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9998
Spacegroup name	P 21 21 2
Unit cell lengths	99.373, 136.825, 38.549
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.400 - 1.700
R-factor	0.18444
Rwork	0.183
R-free	0.21557
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.216
Data reduction software	autoPROC (1.1.7)
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	REFMAC (7.1.015)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.400	1.730
High resolution limit [Å]	1.700	1.700
Rmeas	0.057	0.972
Rpim	0.020	0.409
Number of reflections	58681	2629
<I/σ(I)>	17.3	1.3
Completeness [%]	99.1	90.3
Redundancy	7.9	5.2
CC(1/2)	0.999	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	285	25% (w/v) PEG3350, 0.11M Mg formate