8G3W

MBP-Mcl1 in complex with ligand 28

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	2021-09-09
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	99.498, 137.411, 38.592
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.590 - 1.780
R-factor	0.18685
Rwork	0.185
R-free	0.22587
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.368
Data reduction software	autoPROC (1.1.7)
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER (7.1.015)
Refinement software	REFMAC (7.1.015)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.590	1.810
High resolution limit [Å]	1.780	1.780
Rmeas	0.065	1.580
Rpim	0.022	0.551
Number of reflections	51740	2528
<I/σ(I)>	17.5	1.3
Completeness [%]	99.9	99.7
Redundancy	8.2	7.9
CC(1/2)	1.000	0.787

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	285	19% (w/v) PEG3350, 0.05 M Mg Formate