3F7H

Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-08
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	88.048, 88.048, 73.321
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.800
R-factor	0.15048
Rwork	0.149
R-free	0.17516
Structure solution method	difference Fourier
Starting model (for MR)	1.3 A STRUCTURE OF THE ML-IAP/XIAP PROTEIN BOUND TO A DIFFERENT PEPTIDOMIMETIC WITH THE LIGAND AND SURROUNDING WATERS REMOVED
RMSD bond length	0.010
RMSD bond angle	1.108
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.082	0.457
Number of reflections	27289
<I/σ(I)>	24.7	3.4
Completeness [%]	99.7	97.4
Redundancy	7.1	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	LITHIUM SULFATE, PEG 3350, BIS-TRIS, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K