4BPK

Bcl-xL bound to alpha beta Puma BH3 peptide 5

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	2012-08-22
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 21
Unit cell lengths	65.175, 72.133, 80.579
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.066 - 1.756
R-factor	0.2209
Rwork	0.219
R-free	0.25220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2p1l
RMSD bond length	0.010
RMSD bond angle	1.058
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	3.000	1.820
High resolution limit [Å]	1.760	1.760
Rmerge	0.050	0.710
Number of reflections	198352
<I/σ(I)>	21.74	2.39
Completeness [%]	99.5	97.4
Redundancy	7	9.35

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		0.1M HEPES, PH7.5 1M SODIUM ACETATE 50MM CADMIUM SULPHATE