6ZIE

Crystal structure of MCL-1 in complex with a neutralizing Alphabody CMPX-383B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-09
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.87290
Spacegroup name	P 61 2 2
Unit cell lengths	69.699, 69.699, 261.289
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.330 - 2.300
R-factor	0.2412
Rwork	0.240
R-free	0.25920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mk8
RMSD bond length	0.006
RMSD bond angle	0.800
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.330	2.383
High resolution limit [Å]	2.300	2.301
Rmerge	0.111
Rmeas	0.118
Rpim	0.039
Number of reflections	17660	1693
<I/σ(I)>	14.61	0.85
Completeness [%]	99.7	97.31
Redundancy	8.9	8.8
CC(1/2)	1.000	0.398

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	287	2% (w/v) PEG 3000 0.1 M sodium acetate pH 5.5 0.2 M zinc acetate dihydrate