6O0P

crystal structure of BCL-2 G101A mutation with venetoclax

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	33.398, 48.945, 86.474
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.237 - 1.800
R-factor	0.1949
Rwork	0.193
R-free	0.23190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lvt
RMSD bond length	0.003
RMSD bond angle	0.565
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.240	1.864
High resolution limit [Å]	1.800	1.800
Rmeas	0.113	2.024
Number of reflections	13559	1200
<I/σ(I)>	9.56	0.82
Completeness [%]	98.5	86.85
Redundancy	6.1	4.2
CC(1/2)	0.997	0.292

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	291	5% PEG4K, 40% PEG400, 0.1M MES pH 6.0