6O0O

crystal structure of BCL-2 G101V mutation with S55746

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	2018-12-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	37.684, 68.584, 64.489
Unit cell angles	90.00, 96.67, 90.00

Refinement procedure

Resolution	37.429 - 1.998
R-factor	0.2193
Rwork	0.217
R-free	0.26660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lvt
RMSD bond length	0.004
RMSD bond angle	0.543
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]	37.430	2.070
High resolution limit [Å]	1.998	2.000
Rmeas	0.148
Number of reflections	22155	468
<I/σ(I)>	7.29	0.9
Completeness [%]	74.3	21.24
Redundancy	6.7	6.6
CC(1/2)	0.997	0.596

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5	291	0.1M NaCl 0.1M Succinic acid-NaOH pH5.0 10% PEG200