4ZIE

Crystal Structure of core/latch dimer of Bax in complex with BimBH3

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	2014-08-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 43 21 2
Unit cell lengths	95.440, 95.440, 36.353
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.970 - 1.797
R-factor	0.1864
Rwork	0.182
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bd2
RMSD bond length	0.006
RMSD bond angle	0.873
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.970	1.861
High resolution limit [Å]	1.797	1.797
Rmerge	0.064	1.184
Number of reflections	16194
<I/σ(I)>	30.73	2.57
Completeness [%]	99.9	99.43
Redundancy	14.1	14.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	PEG6000, bicine