6MBD

Human Mcl-1 in complex with the designed peptide dM1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	100
Detector technology	CCD
Collection date	2018-01-09
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	64.792, 69.733, 84.853
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.298 - 1.950
R-factor	0.1989
Rwork	0.196
R-free	0.23990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pk1
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.980
High resolution limit [Å]	1.950	5.290	1.950
Rmerge	0.129	0.060	0.887
Rmeas	0.137	0.064	0.981
Rpim	0.047	0.023	0.398
Number of reflections	27789	1563	888
<I/σ(I)>	5
Completeness [%]	96.2	98.5	63.1
Redundancy	7.7	7.9	3.9
CC(1/2)		0.998	0.652

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	25% PEG 3350, 50 mM BIS-Tris pH 8.5, 50 mM NH4CH3CO2