5W89

Crystal structure of human Mcl-1 in complex with modified Bim BH3 peptide SAH-MS1-18

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 41 21 2
Unit cell lengths	43.390, 43.390, 163.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.405 - 1.420
R-factor	0.1442
Rwork	0.142
R-free	0.18550
RMSD bond length	0.008
RMSD bond angle	0.865
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.405	19.405	1.460
High resolution limit [Å]	1.420	6.350	1.420
Rmerge	0.083	0.053	1.326
Rmeas	0.085	0.055	1.367
Total number of observations	525289
Number of reflections	30358	385	2216
<I/σ(I)>	15.97	38.83	1.85
Completeness [%]	99.1	89.7	100
Redundancy	17.304	15.574	17.233
CC(1/2)	0.999	0.999	0.728

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	300	Reservior: 25% PEG 3350, 50mM Tris pH 9.0, 0.2 M Ammonium acetate; Protein: 408 uM in 20 mM TRis , 10 mM TCEP, 5mM Zn2SO4