9LGU

Crystal structure of Bcl-xL in complex with stapled HRK peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-20
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	71.590, 111.910, 84.140
Unit cell angles	90.00, 109.52, 90.00

Refinement procedure

Resolution	29.050 - 2.970
R-factor	0.2602
Rwork	0.257
R-free	0.30300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.378
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.050	3.076
High resolution limit [Å]	2.970	2.970
Number of reflections	25492	2513
<I/σ(I)>	2.81
Completeness [%]	98.3
Redundancy	6.6
CC(1/2)	0.961	0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 8.5 and 25% w/v Polyethylene glycol 3,350 (w/v)