4HY0

Crystal structure of XIAP BIR3 with T3256336

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	2010-02-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.975
Spacegroup name	P 21 21 21
Unit cell lengths	58.336, 100.840, 184.583
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.840
R-factor	0.21111
Rwork	0.208
R-free	0.26221
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.138
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	2.900
High resolution limit [Å]	2.840	2.840
Number of reflections	24921
<I/σ(I)>	20.8
Completeness [%]	99.0	98.8
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	293	18.5% PEG 4000, 0.08M Tris_base, 0.02M Tris Cl, pH 7.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K