8G3U

MBP-Mcl1 in complex with ligand 21

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	2021-01-22
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	99.324, 137.421, 38.563
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.500 - 1.940
R-factor	0.19754
Rwork	0.195
R-free	0.23753
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.521
Data reduction software	autoPROC (1.1.7)
Data scaling software	autoPROC (1.1.7)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.500	1.977
High resolution limit [Å]	1.940	1.943
Rmeas	0.135	1.868
Rpim	0.048	0.646
Number of reflections	39870	1955
<I/σ(I)>	9.3	1.3
Completeness [%]	99.9	100
Redundancy	8	8.4
CC(1/2)	0.996	0.552

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	285	0.11 M Mg Formate, 19.0% (w/v) PEG3350