4MTI

Crystal structure of cIAP1 BIR3 bound to T3258042

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	2010-04-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	31.137, 68.476, 122.373
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.150
R-factor	0.1982
Rwork	0.195
R-free	0.26713
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.235
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.150	0.550
Number of reflections	14267
<I/σ(I)>	7
Completeness [%]	95.2	92
Redundancy	4.3	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	293	2.8M Na Cl, 0.06M Tris_base, 0.04M Tris Cl, pH 8.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K