6O0M

crystal structure of BCL-2 F104L 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	CCD
Collection date	2016-11-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	33.690, 48.270, 87.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.900 - 1.750
R-factor	0.1747
Rwork	0.172
R-free	0.21760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o0g
RMSD bond length	0.004
RMSD bond angle	0.714
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]	43.900	1.810
High resolution limit [Å]	1.750	1.750
Rmeas	0.115
Number of reflections	15022	1427
<I/σ(I)>	10.58	1.58
Completeness [%]	99.7	97.25
Redundancy	5.8	4.4
CC(1/2)	0.996	0.436

Crystallization Conditions

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