6X8O

BimBH3 peptide tetramer

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	2011-06-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95370
Spacegroup name	P 31 2 1
Unit cell lengths	37.560, 37.560, 128.480
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.530 - 1.310
Rwork	0.140
R-free	0.16830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.996
Data reduction software	XDS
Data scaling software	XDS
Phasing software	Arcimboldo
Refinement software	PHENIX (1.16)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.530	31.530	1.390
High resolution limit [Å]	1.310	3.920	1.310
Number of reflections	48375	1830	7685
<I/σ(I)>	22.97
Completeness [%]	99.7
Redundancy	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20% PEG600, 0.05 M Tris-HCl, 0.15 M potassium thiocyanate, 0.5% CHAPS