6ST2

Selective Affimers Recognize BCL-2 Family Proteins Through Non-Canonical Structural Motifs

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9762
Spacegroup name	P 41 2 2
Unit cell lengths	71.891, 71.891, 204.057
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.990 - 1.790
R-factor	0.2156
Rwork	0.214
R-free	0.24130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r2d 4n6t
RMSD bond length	0.007
RMSD bond angle	1.373
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	102.100	1.840
High resolution limit [Å]	1.790	1.790
Rmerge	0.079	4.694
Rmeas	0.085	5.044
Rpim	0.031	1.835
Number of reflections	51639	3727
<I/σ(I)>	13.8	1.1
Completeness [%]	100.0	100
Redundancy	13.9	14.2
CC(1/2)	0.990	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	10% PEG 8000, 0.2M magnesium chloride and 0.1M Tris pH 7.0