9O15

Crystal Structure of BCL-2 (G101V) mutant in complex with a stapled BAD BH3 peptide BAD SAHB 4.2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	68.200, 111.770, 147.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.230 - 1.990
R-factor	0.192
Rwork	0.191
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.937
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.230	2.020
High resolution limit [Å]	1.990	1.990
Rmerge	0.161	2.087
Rmeas	0.172	2.230
Rpim	0.061	0.781
Total number of observations	589974	29745
Number of reflections	76944	3737
<I/σ(I)>	8.7	0.9
Completeness [%]	98.7
Redundancy	7.7	8
CC(1/2)	0.997	0.349

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	30% Tacsimate, pH 7.0