8G3T

MBP-Mcl1 in complex with ligand 12

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	2020-04-02
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9999
Spacegroup name	P 21 21 2
Unit cell lengths	99.309, 137.340, 38.572
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.470 - 1.830
R-factor	0.18999
Rwork	0.188
R-free	0.23321
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.467
Data reduction software	autoPROC (Jan 26, 2018)
Data scaling software	autoPROC (Jan 26, 2018)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.470	1.996
High resolution limit [Å]	1.830	1.830
Rmeas	0.136	1.440
Rpim	0.048	0.530
Number of reflections	38116	1907
<I/σ(I)>	13.4	1.8
Completeness [%]	92.2
Redundancy	7.8
CC(1/2)	0.990	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	285	0.17M Mg Formate, 23.5% (w/v) PEG3350