6ZL1

Crystal structure of human serum albumin in complex with the MCL-1 neutralizing Alphabody CMPX-383B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9763
Spacegroup name	C 2 2 21
Unit cell lengths	60.688, 231.346, 240.191
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	115.670 - 3.272
R-factor	0.2415
Rwork	0.239
R-free	0.28090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mk8
RMSD bond length	0.009
RMSD bond angle	1.020
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]	115.673	3.389
High resolution limit [Å]	3.272	3.272
Number of reflections	24556	1168
<I/σ(I)>	8.6	0.52
Completeness [%]	92.1	44.11
Redundancy	4.8	2.7
CC(1/2)	0.993	0.182

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	310.15	18% (w/v) PEG 3350, 0.1 M BIS-Tris pH 6.8, 0.2 M ammonium phosphate