6MBE

Human Mcl-1 in complex with the designed peptide dM7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	100
Detector technology	CCD
Collection date	2018-01-12
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	P 32 2 1
Unit cell lengths	80.758, 80.758, 57.950
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.940 - 2.250
R-factor	0.1951
Rwork	0.192
R-free	0.22110
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	2.290
High resolution limit [Å]	2.250	6.100	2.250
Rmerge	0.137	0.073	0.604
Rmeas	0.140	0.075	0.699
Rpim	0.031	0.017	0.337
Number of reflections	10429	588	385
<I/σ(I)>	5
Completeness [%]	97.3	99	73.8
Redundancy	17.6	19.4	3
CC(1/2)		0.999	0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	1.4 M sodium citrate pH 6.5, 0.1 M HEPES pH 7.5