4MU7

Crystal structure of cIAP1 BIR3 bound to T3450325

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	95
Detector technology	CCD
Collection date	2011-04-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	30.982, 68.320, 121.622
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.790
R-factor	0.18549
Rwork	0.184
R-free	0.20647
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.281
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.820
High resolution limit [Å]	1.780	1.780
Number of reflections	25323
Completeness [%]	98.0	80.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	3.5M ammonium chloride, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K