4ZII

Crystal Structure of core/latch dimer of BaxI66A in complex with BidBH3

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	2012-03-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 43 21 2
Unit cell lengths	103.801, 103.801, 38.007
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.420 - 2.191
R-factor	0.18
Rwork	0.175
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bd2
RMSD bond length	0.007
RMSD bond angle	1.054
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.420	2.269
High resolution limit [Å]	2.191	2.191
Rmerge	0.109	1.947
Number of reflections	11053
<I/σ(I)>	17.29	1.63
Completeness [%]	98.9	94.33
Redundancy	13.7	12.5

Crystallization Conditions

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