4OXC

Crystal structure of XIAP BIR1 domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	36.630, 72.390, 69.870
Unit cell angles	90.00, 95.69, 90.00

Refinement procedure

Resolution	50.190 - 2.900
R-factor	0.18
Rwork	0.176
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.142
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.400	3.060
High resolution limit [Å]	2.900	2.900
Rmerge	0.121	0.615
Number of reflections	8085
<I/σ(I)>	7.1
Completeness [%]	99.2
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	8.5	293	PEG 4000, Sodium Acetate