4U2U

Bak domain swapped dimer induced by BidBH3 with CHAPS

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	2013-08-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.953726
Spacegroup name	C 1 2 1
Unit cell lengths	110.646, 39.482, 88.147
Unit cell angles	90.00, 117.71, 90.00

Refinement procedure

Resolution	48.980 - 2.900
R-factor	0.2142
Rwork	0.209
R-free	0.26270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ims
RMSD bond length	0.008
RMSD bond angle	0.970
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.980		3.070
High resolution limit [Å]	2.900	8.570	2.900
Rmerge	0.227	0.034	1.083
Rmeas	0.267	0.041	1.269
Total number of observations	28181
Number of reflections	7712	333	1193
<I/σ(I)>	6.33	27.71	1.31
Completeness [%]	98.7	98.2	95.5
Redundancy	3.7		3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	26.7% PEG 3350, 0.05 M sodium acetate