8G3S

MBP-Mcl1 in complex with ligand 11

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	2020-05-07
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.000021
Spacegroup name	P 21 21 2
Unit cell lengths	98.880, 137.350, 38.676
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.250 - 1.400
R-factor	0.14479
Rwork	0.142
R-free	0.19398
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.277
Data reduction software	autoPROC (1.1.7)
Data scaling software	autoPROC (1.1.7)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.250	1.517
High resolution limit [Å]	1.400	1.400
Rmeas	0.084	1.560
Rpim	0.029	0.520
Number of reflections	84015	4203
<I/σ(I)>	13.2	1.5
Completeness [%]	94.5
Redundancy	8.2
CC(1/2)	0.990	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	285	0.17 M Mg Formate, 25.00% (w/v) PEG3350