3T6P

IAP antagonist-induced conformational change in cIAP1 promotes E3 ligase activation via dimerization

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-08-05
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	37.971, 85.432, 106.484
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.778 - 1.897
R-factor	0.1928
Rwork	0.191
R-free	0.23280
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.954
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.897	4.090	1.897
Rmerge	0.058	0.035	0.532
Number of reflections	27890
<I/σ(I)>	10
Completeness [%]	99.5	99.3	99.9
Redundancy	4.8	4.5	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	292	200 mM lithium chloride, 100 mM Tris pH 8, 20% PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 292K