4K5B

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	P 1 21 1
Unit cell lengths	49.300, 93.600, 72.300
Unit cell angles	90.00, 106.80, 90.00

Refinement procedure

Resolution	38.769 - 1.850
R-factor	0.1777
Rwork	0.175
R-free	0.22230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.187
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]			1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.048	0.023	0.560
Rmeas		0.028	0.679
Number of reflections	52593	593	3951
<I/σ(I)>	14.92	45	2.11
Completeness [%]	98.0	94.9	99.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	3.3	277	0.1M citric acid, 20% PEG6000, pH 3.3, vapor diffusion, temperature 277K