4ZIF

Crystal Structure of core/latch dimer of Bax in complex with BimBH3mini

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	2013-09-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 43 21 2
Unit cell lengths	96.140, 96.140, 37.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.766 - 2.401
R-factor	0.198
Rwork	0.195
R-free	0.25540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bd2
RMSD bond length	0.012
RMSD bond angle	1.585
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.770	2.486
High resolution limit [Å]	2.401	2.401
Rmerge	0.058	0.792
Number of reflections	7219
<I/σ(I)>	22.48	2.61
Completeness [%]	99.9	100
Redundancy	7.7	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	Tri-sodium citrate, Sodium cacodylate