7XGF

Crystal structure of BCL-xL in complex with computationally designed inhibitor protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-27
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97959
Spacegroup name	P 1
Unit cell lengths	60.930, 69.050, 79.990
Unit cell angles	100.79, 110.00, 108.67

Refinement procedure

Resolution	29.210 - 1.900
R-factor	0.1733
Rwork	0.172
R-free	0.20610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	designed model
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.210	1.960
High resolution limit [Å]	1.900	1.900
Number of reflections	83355	8334
<I/σ(I)>	11.9
Completeness [%]	96.4
Redundancy	3.7
CC(1/2)	0.998	0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10% PEG 10,0000 (w/v), 0.1M Sodium acetate (pH4.5)