3PL7

Crystal structure of Bcl-xL in complex with the BaxBH3 domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-10
Detector	ADSC QUANTUM 210
Wavelength(s)	0.95661
Spacegroup name	C 2 2 21
Unit cell lengths	70.246, 99.050, 113.143
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.544 - 2.613
R-factor	0.1888
Rwork	0.186
R-free	0.24950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yxj
RMSD bond length	0.008
RMSD bond angle	1.021
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.690
High resolution limit [Å]	2.600	5.600	2.600
Rmerge	0.105	0.042	0.591
Number of reflections	12238
<I/σ(I)>	26.4	50	6.1
Completeness [%]	99.9	99.5	100
Redundancy	14.5	13.4	14.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	293	13% Peg 6000, 0.2M CaCl2, 0.1M Tris, pH 8.0, VAPOR DIFFUSION, temperature 293K