4K5A

Co-crystallization with conformation-specific designed ankyrin repeat proteins explains the conformational flexibility of BCL-W

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	90
Detector technology	PIXEL
Collection date	2011-10-27
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	110.700, 42.600, 76.700
Unit cell angles	90.00, 110.80, 90.00

Refinement procedure

Resolution	39.393 - 1.500
R-factor	0.1582
Rwork	0.157
R-free	0.19030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.937
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]			1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.050	0.034	0.333
Rmeas		0.041	0.397
Number of reflections	52907	646	3839
<I/σ(I)>	14.65	36.59	3.56
Completeness [%]	98.1	98	96.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	277	0.1M HEPES, 0.2M Li2SO4 , 25% PEG4000, pH 8, vapor diffusion, temperature 277K