7XGG

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

Experimental procedure

Experimental method	MAD
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	2019-10-28
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97403
Spacegroup name	P 1
Unit cell lengths	60.612, 68.539, 80.517
Unit cell angles	100.89, 110.57, 108.73

Refinement procedure

Resolution	38.130 - 1.900
R-factor	0.1665
Rwork	0.166
R-free	0.19670
Structure solution method	MAD
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.600	5.160	1.900
Rmerge	0.073	0.065	0.322
Rmeas	0.103	0.076	0.391
Rpim	0.073	0.038	0.217
Number of reflections	162032	4218	3987
<I/σ(I)>	3.1
Completeness [%]	96.7	99.5	95.3
Redundancy	1.8	3.9	3.1
CC(1/2)		0.996	0.871

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	4% PEG 3,000(w/v), 0.1M Sodium acetate(pH4.5)