2YJ1

Puma BH3 foldamer in complex with Bcl-xL

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	2009-11-05
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	58.918, 71.382, 75.605
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.439 - 2.240
R-factor	0.1936
Rwork	0.190
R-free	0.25310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2p1l
RMSD bond length	0.008
RMSD bond angle	1.164
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (FOR MR)
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.320
High resolution limit [Å]	2.240	2.240
Rmerge	0.180	0.520
Number of reflections	15846
<I/σ(I)>	14.2	3.3
Completeness [%]	99.4	97.1
Redundancy	8.7	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		0.05 M CADMIUM SULPHATE 1.0 M SODIUM ACETATE 0.1 M HEPES PH 7.5.