3OZ1

cIAP1-BIR3 domain in complex with the Smac-mimetic compound Smac066

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	70
Detector technology	CCD
Collection date	2010-05-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.94
Spacegroup name	C 2 2 2
Unit cell lengths	113.589, 114.630, 92.962
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.930 - 3.000
R-factor	0.1949
Rwork	0.192
R-free	0.25690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.120
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.9.2)

Data quality characteristics

	Overall
Low resolution limit [Å]	92.900
High resolution limit [Å]	3.000
Number of reflections	11333
Completeness [%]	95.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	25% PEG 400, 0.1M Sodium Citrate, 0.1M Tris, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K