6STJ

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 I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9159
Spacegroup name	C 2 2 21
Unit cell lengths	92.142, 107.498, 226.154
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	113.080 - 2.200
R-factor	0.2585
Rwork	0.257
R-free	0.28950
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5fc4 4n6t
RMSD bond length	0.004
RMSD bond angle	1.255
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]	113.100	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.083	1.644
Rpim		0.591
Number of reflections	57159	2578
<I/σ(I)>	13.5	1.2
Completeness [%]	99.4	91.4
Redundancy	11.8	8.6
CC(1/2)	0.988	0.681

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	30% PEG MME 2K, 0.2M ammonium sulfate, 0.1M sodium acetate pH4.6